Compounds > benzene
Page last updated: 2024-12-04

benzene

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Cross-References

ID SourceID
PubMed CID241
CHEMBL ID277500
CHEBI ID16716
MeSH IDM0002332

Synonyms (168)

Synonym
phene
CHEBI:16716 ,
nci-c55276
benzen
coal naphtha
wln: rh
benzeen
fenzen
benzine
nsc-67315
benzolene
motor benzol
nitration benzene
mineral naphtha
nsc67315
bicarburet of hydrogen
benzolo
[6]annulene
benzin
pyrobenzole
pyrobenzol
phenyl hydride
cyclohexatriene
inchi=1/c6h6/c1-2-4-6-5-3-1/h1-6
NCGC00090744-01
NCGC00090744-02
ai3-00808
rcra waste number u019
fenzen [czech]
einecs 200-753-7
benzolo [italian]
un1114
benzin (obs.)
epa pesticide chemical code 008801
benzene (including benzene from gasoline)
ccris 70
benzol 90
hsdb 35
benzen [polish]
benzeen [dutch]
nsc 67315
(6)annulene
un 1114
benzine (obs.)
caswell no. 077
benzene, pure
C01407
benzene ,
71-43-2
benzol
benzole
RNG ,
GHL.PD_MITSCHER_LEG0.503
223L
1HYZ
1L83
1SWI
220L
bnz ,
benzene, acs spectrophotometric grade, >=99%
NCGC00163890-01
NCGC00163890-02
benzene + aniline combo
2Z9G
benzene, acs reagent, >=99.0%
benzene, anhydrous, 99.8%
benzene, puriss., absolute, over molecular sieve (h2o <=0.005%), >=99.5% (gc)
B0020
CHEMBL277500 ,
3,4-dnh
erythro-phenyl-2-piperidyl-carbinol,(-)
cc-34,(+/-)
trans-n, n-dimethylphenylcyclopropylamine
bdbm50167939
trans-n-methylphenylcyclopropylamine
bm 613
FT-0657604
Q0038
26181-88-4
benzene, labeled with carbon-14 and tritium
NCGC00260036-01
dtxcid20135
tox21_202487
cas-71-43-2
dtxsid3039242 ,
62485-97-6
AKOS008967253
ec 200-753-7
unii-j64922108f
j64922108f ,
benzene [un1114] [flammable liquid]
FT-0622637
FT-0622636
FT-0622667
EPITOPE ID:116867
4I7J
1,3,5-cyclohexatriene
14941-52-7
benzene-1,2,3,5-d4
STL264205
benzinum
benzene [mi]
benzene [hsdb]
benzinum [hpus]
biperiden hydrochloride impurity f [ep impurity]
benzene [vandf]
benzene [iarc]
benzene [mart.]
benzene [usp-rs]
benzene (benzol)
benzene [who-dd]
acetone impurity c [ep impurity]
benzene-
ph-h
c6h6
benzene-1,2,4,5-d4
mfcd00003009
benzene, reagentplus(r), thiophene free, >=99%
benzene, saj first grade, >=99.0%
benzene, jis special grade, >=99.5%
benzene, puriss. p.a., reag. ph. eur., >=99.7%
benzene, for hplc
benzene, for hplc, >=99.9%
benzene, analytical standard
benzene, purum, >=99.0% (gc)
benzene, purification grade
{[6]annulene}
benzolum
benzene, pharmaceutical secondary standard; certified reference material
benzene, lr, >=99%
benzene, ar, >=99.5%
benzene, for hplc, >=99.8%
benzene 100 microg/ml in methanol
benzene 10 microg/ml in methanol
benzene-1,4-d2
benzene acs grade
54682-86-9
Q26841227
benzene 5000 microg/ml in methanol
Q2270
BCP26158
phenyl; phenyl radical
FT-0627856
phenylmanganese iodide
p-benzene
[6]-annulene
benzene (1,3,5-d3)
benzene,iodomanganese(1+)
25053-22-9
benzene 20 microg/ml in triacetin
benzene 30 microg/ml in n,n-dimethylacetamide
benzene content (nominal: 0.62% volume)
benzene (mart.)
benzin /obsolete/
benzine /obsolete/
mineral naphta
benzene (iarc)
benzene (usp-rs)
headache insomnia
caswell no 077
usepa/opp pesticide code: 008801
12a. - vocs - carbopack x sorbent tubes
12 - vocs - tenax ta sorbent tubes (perkin elmer)
18c - benzenes, toluene and xylenes
22 - btex in soil
34j - wfd j
7 - vocs (perkin elmer tubes)
5 - vocs

Research Excerpts

Overview

Benzene is a recognized hematotoxin and leukemogen. Its mechanism of action in humans remains unclear. Benzene is abundant in household products, petrochemicals, and cigarette smoke. It is a common environmental carcinogen that induces leukemia.

ExcerptReferenceRelevance
"Benzene is a recognized hematotoxin and leukemogen; however, its mechanism of action in humans remain unclear. "( Metabolome-wide association study of occupational exposure to benzene.
Hu, W; Jones, DP; Lan, Q; Rahman, M; Rappaport, SM; Rothman, N; Smith, MT; Vermeulen, R; Walker, DI; Yin, S; Zhang, L, 2021)		2.3
"Benzene is a ubiquitous environmental pollutant. "( Subclinical markers of cardiovascular toxicity of benzene inhalation in mice.
Abplanalp, WT; Bhatnagar, A; Conklin, DJ; Hill, BG; Malovichko, MV; McFall, SA; Nantz, MH; O'Toole, TE; Sithu, ID; Srivastava, S; Sutaria, SR; Taylor, BS; Uchida, S; Wickramasinghe, NS; Zelko, IN, 2021)		2.32
"Benzene is a known carcinogen for adult leukemia. "( Childhood cancer and residential proximity to petrol stations: a nationwide registry-based case-control study in Switzerland and an updated meta-analysis.
Ammann, RA; Diezi, M; Konstantinoudis, G; Kreis, C; Kühni, C; Mazzei, A; Spycher, BD; Zwahlen, M, 2022)		2.16
"Benzene is a typical hematopoietic toxic substance, that can cause serious blood and circulatory system diseases such as aplastic anemia, myelodysplastic syndrome and acute myeloid leukemia, but the immunological mechanism by which this occurs is not clear. "( Immunosuppression characterized by increased Treg cell and IL-10 levels in benzene-induced hematopoietic toxicity mouse model.
Huang, J; Liang, G; Pu, Y; Sun, R; Wang, T; Xu, K; Yin, L; Yu, L; Zhang, J, 2021)		2.29
"Benzene is a ubiquitous environmental pollutant abundant in household products, petrochemicals, and cigarette smoke. "( Chronic Benzene Exposure Aggravates Pressure Overload-Induced Cardiac Dysfunction.
Brittian, KR; Conklin, DJ; Dassanayaka, S; Garrett, LF; Howard, CM; Jones, SP; Malovichko, MV; Srivastava, S; Uchida, S; Zelko, IN, 2021)		2.5
"Benzene is a common environmental carcinogen that induces leukemia. "( GCN5-mediated PKM2 acetylation participates in benzene-induced hematotoxicity through regulating glycolysis and inflammation via p-Stat3/IL17A axis.
Chen, Y; Gao, A; Guo, X; Ren, J; Wang, J; Zhang, W, 2022)		2.42
"Benzene is a carcinogenic air pollutant for which European legislation has set an annual limit and criteria for the number of fixed monitoring sites within air quality networks (AQMN). "( An optimized approach for estimating benzene in ambient air within an air quality monitoring network.
Galán-Madruga, D; García-Cambero, JP, 2022)		2.44
"Benzene is an occupational and environmental toxicant, causing hematopoietic damage. "( Research development and trends of benzene-induced leukemia from 1990 to 2019-A bibliometric analysis.
Cong, X; Pu, Y; Sun, Q; Wang, B; Xu, S; Zhang, J, 2022)		2.44
"Benzene is a carcinogenic chemical substance which causes the injuries and damages through producing the free radicals in DNA (deoxyribonucleic acid) and the antioxidants are the agents which reduce the impacts of DNA damages by inhibiting the free radicals. "( Evaluating the relationship between the respiratory exposure to the benzene with the primary damages of deoxyribonucleic acid and total antioxidant capacity in one of the oil companies in Iran.
Hachesu, VR; Sakhvidi, MJZ; Zarei, A; Zolfaghari, A, 2022)		2.4
"Benzenesulfonamides are a class of molecules of extreme interest in the biochemical field because many of them are active against a variety of diseases. "( The Shapes of Sulfonamides: A Rotational Spectroscopy Study.
Calabrese, C; Loru, D; Maris, A; Melandri, S; Peña, I; Sanz, ME; Vigorito, A, 2022)		2.16
"Benzene poisoning is a common adverse blood outcome in occupational workers, manifested by hematopoietic dysfunction. "( Early hematopoietic injury triggered by benzene characterized with inhibition of erythrocyte differentiation involving the mollicutes_RF39-derived citrulline.
Gao, A; Han, L; Jing, J; Liu, Z; Wang, J; Zhang, L; Zhang, W, 2022)		2.43
"Benzene is an environmental toxicant and known human carcinogen. "( DNA damage, DNA repair gene expression, and topoisomerase IIα activity in CD-1 mice following in utero benzene exposure.
Holmes, TH; Winn, LM, 2022)		2.38
"Benzene is a common industrial chemical and environmental pollutant. "( Let-7e-5p, a promising novel biomarker for benzene toxicity, is involved in benzene-induced hematopoietic toxicity through targeting caspase-3 and p21.
Li, X; Pu, Y; Sun, Q; Sun, R; Wang, B; Wang, T; Xu, K; Xu, S; Yin, L; Zhang, J, 2022)		2.43
"Benzene is a carcinogenic agent, and exposure among workers should be as low as reasonably practicable."( Benzene Exposure From Selected Work Tasks on Offshore Petroleum Installations on the Norwegian Continental Shelf, 2002-2018.
Aasbø, K; Bråtveit, M; Daltveit, DS; Hollund, BE; Kirkeleit, J; Kromhout, H; Krüger, K; Ridderseth, H, 2023)		3.07
"Benzene is a group I carcinogen determined by IARC. "( Genus unclassified_Muribaculaceae and microbiota-derived butyrate and indole-3-propionic acid are involved in benzene-induced hematopoietic injury in mice.
Gao, A; Han, L; Jing, J; Liu, Z; Wang, J; Zhang, L; Zhang, W, 2023)		2.56
"Benzene poisoning is a common occupational poisoning event in the printing industries. "( The prediction of occupational health risks of benzene in the printing industry through multiple occupational health risk assessment models.
Liu, M; Shi, B; Su, S; Wang, T; Wen, C; Xu, H, 2022)		2.42
"Benzene is a frequent component of environmental pollution and is abundant in petrochemicals, decorative materials, motor vehicle exhaust and cigarette smoke. "( Hydroquinone triggers pyroptosis and endoplasmic reticulum stress via AhR-regulated oxidative stress in human lymphocytes.
Dong, S; He, J; Jia, Q; Li, C; Li, M; Peng, C; Shao, H; Xing, C; Yang, X, 2023)		2.35
"Benzene is a universal ambient pollutant. "( The role of N
Gao, A; Han, L; Jing, J; Liu, Z; Wang, J; Zhang, L; Zhang, W, 2023)		2.35
"Benzene is a known human carcinogen and one of the ten chemicals of major public health concern identified by the World Health Organization. "( Health Risk Assessment in Children Occupationally and Para-Occupationally Exposed to Benzene Using a Reverse-Translation PBPK Model.
Farías, P; Lajous, M; Pech, K; Pérez-Herrera, N; Vértiz-Hernández, ÁA, 2023)		2.58
"Benzene is a well-known cause of adult leukemia."( Linking Benzene, in Utero Carcinogenicity and Fetal Hematopoietic Stem Cell Niches: A Mechanistic Review.
Abd Hamid, Z; Budin, SB; Taib, IS; Yusoff, NA, 2023)		2.07
"Benzene is a toxic environmental pollutant that disrupts the immune system in humans. "( Benzene induces spleen injury through the B cell receptor signaling pathway.
Hu, H; Jin, M; Li, J; Liu, W; Qiao, Y; Wu, P; Yang, D; Yin, J; Zhao, Y, 2023)		3.8
"Benzene is a known hematotoxic and leukemogenic chemical. "( Benzene metabolite hydroquinone enhances self-renewal and proliferation of preleukemic cells through the Ppar-γ pathway.
Cheng, X; Li, J; Lian, N; Lu, Y; Sui, P; Wang, QF; Xing, C; Xu, P; Zhou, J, 2023)		3.8
"Benzene is a well-studied substance that is generally considered a genotoxic carcinogen and is known to cause leukemia."( Utility of a next generation framework for assessment of genomic damage: A case study using the industrial chemical benzene.
Ball, NS; Dearfield, KL; Gollapudi, BB; Johnson, GE; Luijten, M; Madia, F; Peel, L; Pfuhler, S; Settivari, RS; Ter Burg, W; van Benthem, J; White, PA, 2020)		1.49
"Benzene is a known hematotoxic and leukemogenic agent with hematopoietic stem cells (HSCs) niche being the potential target. "( Genetic, epigenetic, and lineage-directed mechanisms in benzene-induced malignancies and hematotoxicity targeting hematopoietic stem cells niche.
Dewi, R; Hamid, ZA; Rajab, NF; Razak, SA; Shuib, S, 2020)		2.25
"Benzene exposure is a risk factor of acute myeloid leukemia (AML), during such carcinogenesis long non-coding RNAs (lncRNAs) are important epigenetic regulators. "( Up-regulation of DNMT3b contributes to HOTAIRM1 silencing via DNA hypermethylation in cells transformed by long-term exposure to hydroquinone and workers exposed to benzene.
Ling, X; Liu, L; Pan, Z; Tan, Q; Wu, M; Xie, D; Xie, P; Yuan, Q; Zhang, H; Zheng, D, 2020)		2.2
"Benzene is a widespread environmental and occupational pollutant that mainly causes blood and bone marrow abnormalities."( Benzene exposure induces gut microbiota dysbiosis and metabolic disorder in mice.
Chen, M; Ji, J; Ji, S; Man, Z; Pu, Y; Sun, R; Xu, K; Yin, L; Zhang, J, 2020)		2.72
"Benzene is a toxic contaminant and can harm many aquatic species and cause serious damages to the river eco-system, if released to rivers. "( Mitigation of impact of a major benzene spill into a river through flow control and in-situ activated carbon absorption.
Barry, DA; Hu, S; Jin, G; Li, L; Tang, H; Yang, Y; Zhang, Z, 2020)		2.28
"Benzene is an environmental toxicant found in many consumer products. "( Benzene and its effects on cell signaling pathways related to hematopoiesis and leukemia.
Lu, PCW; Shahbaz, S; Winn, LM, 2020)		3.44
"Benzene is a human carcinogen that requires metabolic activation. "( Human CYP2E1-dependent mutagenicity of benzene and its hydroxylated metabolites in V79-derived cells: Suppression and enhancement by ethanol pretreatment.
Cai, L; Glatt, H; Hu, K; Li, Z; Liu, Y; Shi, M, 2020)		2.27
"Benzene is a global pollutant and has been established to cause leukemia. "( Promoter hypermethylation in CSF3R induces peripheral neutrophil reduction in benzene-exposure poisoning.
Guo, K; Li, H; Ren, JC; Sun, D; Wang, T; Wu, H; Wu, W; Xia, ZL; Zhang, F; Zhang, GH, 2020)		2.23
"Benzene is a well-known human carcinogen that is one of the major components of air pollution. "( Acarbose protects from central and peripheral metabolic imbalance induced by benzene exposure.
Awada, AA; Debarba, LK; Didyuk, O; Fakhoury, P; Klueh, U; Koshko, L; Lima, JBM; Mulka, A; Sadagurski, M; Zhang, K, 2020)		2.23
"Benzene is a known genotoxic carcinogen linked to many hematological abnormalities. "( Large Differences in Urinary Benzene Metabolite S-Phenylmercapturic Acid Quantitation: A Comparison of Five LC-MS-MS Methods.
Bello, K; Bhandari, D; Bienvenu, JF; Biren, C; Blount, BC; Bowman, B; Carmella, SG; Chen, M; De Jesús, VR; Gaudreau, E; Hecht, SS; Jacob, P; Kenwood, BM; Liu, J; Tevis, DS; Willmore, A, 2021)		2.36
"Benzene is a highly toxic aromatic hydrocarbon. "( A Nanoprobe Based on Gated Mesoporous Silica Nanoparticles for The Selective and Sensitive Detection of Benzene Metabolite t,t-Muconic Acid in Urine.
Amendola, V; Blandez, JF; de la Torre, C; Domínguez, M; Licchelli, M; Lozano-Torres, B; Mangano, C; Martínez-Máñez, R; Sancenón, F, 2021)		2.28
"Benzene is a ubiquitous, occupational, and environmental hematotoxic and leukemogen. "( Toxicity in hematopoietic stem cells from bone marrow and peripheral blood in mice after benzene exposure: Single-cell transcriptome sequencing analysis.
Ji, S; Pu, Y; Sun, R; Xu, K; Yin, L; Yu, L; Zhang, J, 2021)		2.29
"Benzene (BZ) is a ubiquitous environmental pollutant and carcinogen that causes leukemia."( The Benzene Hematotoxic and Reactive Metabolite 1,4-Benzoquinone Impairs the Activity of the Histone Methyltransferase SET Domain Containing 2 (SETD2) and Causes Aberrant Histone H3 Lysine 36 Trimethylation (H3K36me3).
Berthelet, J; Bui, LC; Chomienne, C; Dulphy, N; Dupret, JM; Guidez, F; Le Coadou, L; Michail, C; Rodrigues-Lima, F; Sirri, V; Wang, L, 2021)		1.9
"Benzene is an aromatic compound and harmful for the environment. "( Benzene degradation in a denitrifying biofilm reactor: activity and microbial community composition.
Atashgahi, S; da Rocha, UN; Gerritse, J; Smidt, H; van der Waals, MJ; van der Zaan, BM, 2017)		3.34
"Benzene is a well-known occupational and environmental toxicant associated with cytopenia, which is characterized by a disorder in the peripheral blood cell counts. "( Diallyl trisulfide (DATS) suppresses benzene-induced cytopenia by modulating haematopoietic cell apoptosis.
Han, W; Jiang, L; Li, M; Wang, H; Wang, S; Wang, X; Xie, K, 2017)		2.17
"Benzene is a primary industrial chemical and a ubiquitous environmental pollutant. "( Association between Promoter Methylation of Gene ERCC3 and Benzene Hematotoxicity.
Hou, F; Li, G; Lin, F; Wang, Q; Xing, C; Xu, P; Zheng, M; Zhu, C, 2017)		2.14
"Benzene is an important occupational and environmental contaminant, naturally present in petroleum and as by-product in the steel industry. "( An efficient analytical method for determination of S-phenylmercapturic acid in urine by HPLC fluorimetric detector to assessing benzene exposure.
Andre, LC; Mendes, MPR; Silveira, JN, 2017)		2.1
"Benzene is a ubiquitous, volatile pollutant present at high concentrations in toxins (e.g. "( Benzene exposure is associated with cardiovascular disease risk.
Abplanalp, W; Bhatnagar, A; Conklin, DJ; DeJarnett, N; McCracken, JP; O'Toole, TE; Rai, S; Riggs, DW; Srivastava, S; Xie, Z, 2017)		3.34
"Benzene is an established carcinogenic substance [1,2].[...]."( Comment on Zheng et al. Association between Promoter Methylation of Gene ERCC3 and Benzene Hematotoxicity. Int. J. Environ. Res. Public Health 2017, 14, 921.
Moshammer, H; Poteser, M, 2017)		2.12
"Benzene is a recognized human carcinogen; however, there are still some gaps in the knowledge regarding the mechanism of toxicity of this organic solvent and potential early biomarkers for the damage caused by it. "( The role of B7 costimulation in benzene immunotoxicity and its potential association with cancer risk.
Arbo, M; Charão, M; Correia, D; Costa, B; Duschl, A; Garcia, SC; Gauer, B; Göethel, G; Matte, U; Moro, A; Nardi, J; Nascimento, S; Sauer, E, 2018)		2.21
"Benzene is a VOC belonging to group-I carcinogens with a toxicity widely demonstrated."( The porcine odorant-binding protein as molecular probe for benzene detection.
Capo, A; D'Auria, S; Pennacchio, A; Staiano, M; Varriale, A, 2018)		1.45
"Benzene is an environmental and occupational contaminant. "( Plasma metabonomics investigation reveals involvement of fatty acid oxidation in hematotoxicity in Chinese benzene-exposed workers with low white blood cell count.
Jiang, X; Man, Z; Pu, Y; Sun, R; Xu, K; Yin, L; Zhang, J; Zhang, Q, 2018)		2.14
"Benzene is a ubiquitous environmental pollutant with various health effects. "( Association of benzene exposure with insulin resistance, SOD, and MDA as markers of oxidative stress in children and adolescents.
Amin, MM; Ebrahimpour, K; Hashemi, M; Kelishadi, R; Mozafarian, N; Poursafa, P; Rafiei, N; Shoshtari-Yeganeh, B, 2018)		2.28
"Benzene is a ubiquitous pollutant associated with hematotoxicity but its metabolic effects are unknown. "( Benzene Exposure Induces Insulin Resistance in Mice.
Abplanalp, WT; Bhatnagar, A; Conklin, DJ; O'Toole, TE; Sithu, SD; Srivastava, S; Wickramasinghe, NS; Xie, Z, 2019)		3.4
"Benzene is a hematopoietic toxicant, and hematopoietic cells in bone marrow (BM) are one of the main targets for its action, especially hematopoietic stem cells (HSCs). "( Global Identification of HIF-1α Target Genes in Benzene Poisoning Mouse Bone Marrow Cells.
Man, Z; Meng, X; Pu, Y; Sun, F; Sun, R; Xu, K; Yin, L; Zhang, J, 2018)		2.18
"Benzene is a frequent component of air pollution, and strategies to protect individuals against unavoidable exposure to this and other airborne carcinogens could improve the public's health."( Dose-dependent detoxication of the airborne pollutant benzene in a randomized trial of broccoli sprout beverage in Qidong, China.
Carmella, S; Chen, JG; Chen, YS; Egner, P; Fahey, J; Groopman, J; Hecht, S; Jacobson, L; Johnson, J; Kensler, K; Kensler, T; Lu, LL; Muñoz, A; Ng, D; Rule, A; Sun, Y; Wang, JB; Wu, Y; Xue, XF; Zhang, YH; Zhu, J; Zhu, YR, 2019)		1.48
"Benzene is a highly flammable, highly volatile liquid aromatic hydrocarbon. "( Benzene and leukemia: from scientific evidence to regulations. A historical example.
Belingheri, M; De Vito, G; Fustinoni, S; Porro, A; Riva, MA, 2019)		3.4
"Benzene is a human carcinogen presented in gasoline (1% by volume). "( Risk Assessment on Benzene Exposure among Gasoline Station Workers.
Autrup, H; Chaiklieng, S; Suggaravetsiri, P, 2019)		2.29
"Benzene is a well-known carcinogen for hematologic malignancy, and its casual relationship with GB cancer has been suggested."( Simultaneous occurrence of gallbladder cancer in a laundry couple: association between gallbladder cancer and benzene.
Cha, SW; Cho, YD; Chun, CG; Jang, JY; Jeong, SW; Shim, KY; Um, WH, 2013)		1.32
"Benzene is a ubiquitous pollutant of both indoor and outdoor environments which impacts on respiratory health. "( Urinary S-PMA related to indoor benzene and asthma in children.
Annesi-Maesano, I; Baiz, N; Caillaud, D; Hassani, Y; Hulin, M; Kigninlman, H; Rive, S; Toloba, Y, 2013)		2.12
"Benzene is an important industrial chemical and widespread environmental pollutant known to induce leukemia and other blood disorders. "( Microsomal epoxide hydrolase (EPHX1) polymorphisms are associated with aberrant promoter methylation of ERCC3 and hematotoxicity in benzene-exposed workers.
Chen, Q; Guo, X; Hou, L; Li, G; Liu, X; Wang, QF; Xing, C; Zhang, L; Zheng, M; Zou, Z, 2013)		2.04
"Benzene is an occupational toxicant and an environmental pollutant that potentially causes hematotoxicity and leukemia in exposed populations. "( Comparison of toxicity of benzene metabolite hydroquinone in hematopoietic stem cells derived from murine embryonic yolk sac and adult bone marrow.
Bi, Y; Guo, L; Huang, W; Li, Z; Ma, Q; Wang, H; Wang, L; Wang, S; Wang, W; Yang, S; Yang, T; Zhu, J, 2013)		2.13
"Benzene is a representative member of volatile organic compounds and has been widely used as an industrial solvent. "( Assessing benzene-induced toxicity on wild type Euglena gracilis Z and its mutant strain SMZ.
Arthur, DM; Ng, JC; Peng, C; Sichani, HT; Xia, Q, 2013)		2.23
"Benzene is an environmental pollutant, and the EU guideline value for ambient air is 5 microg/m3, based on carcinogenic risk."( [Considerations on the limit values for benzene].
Aprea, MC; Bartolucci, GB; Manno, M; Moretto, A; Scapellato, ML, )		1.12
"Benzene is an important industrial chemical and an environmental contaminant, but the pathogenesis of hematotoxicity induced by chronic occupational benzene exposure remains to be elucidated. "( Differential gene expression profiling analysis in workers occupationally exposed to benzene.
Gao, A; Niu, P; Tian, L; Yang, G; Yang, J, 2014)		2.07
"Benzene is a well known carcinogen of blood and its components, but the concern of benzene exposure is more than carcinogenicity of blood components and should be evaluated in both epidemiologic and experimental studies."( Current understandings and perspectives on non-cancer health effects of benzene: a global concern.
Abdollahi, M; Bahadar, H; Mostafalou, S, 2014)		1.36
"Benzene is an established human hematotoxicant and leukemogen. "( Long non-coding RNA NR_045623 and NR_028291 involved in benzene hematotoxicity in occupationally benzene-exposed workers.
Bai, W; Gao, A; Niu, P; Tian, L; Yang, G; Yang, J, 2014)		2.09
"Benzene is a volatile organic compound present in traffic-related and indoor air pollution. "( Urinary benzene metabolite and insulin resistance in elderly adults.
Choi, YH; Hong, YC; Kim, JH; Lee, BE, 2014)		2.28
"Benzene is a human hematotoxicant and a leukemogen that causes lymphohematopoietic cancers, especially acute myelogenous leukemia. "( Benzene uptake in Hookah smokers and non-smokers attending Hookah social events: regulatory implications.
Carmella, SG; Chatfield, DA; Daffa, RM; Hecht, SS; Hofstetter, CR; Hovell, MF; Jackson, SR; Kassem, NO; Liles, S; Matt, GE; Younis, MA; Zarth, AT, 2014)		3.29
"Benzene is a well-known haematological toxin causing aplastic anaemia and leukaemia. "( The relationship between low-level benzene exposure and blood cell counts in Korean workers.
Jeon, HK; Koh, DH; Lee, SG; Ryu, HW, 2015)		2.14
"Benzene is a known human carcinogen causing leukemia, yet ambient air quality objectives for benzene are not available in China. "( Ambient air benzene at background sites in China's most developed coastal regions: exposure levels, source implications and health risks.
Huang, X; Huang, Z; Lü, S; Wang, X; Wang, Y; Zhang, Y; Zhang, Z, 2015)		2.24
"Benzene is a ubiquitous environmental pollutant and a confirmed human carcinogen, which requires metabolic activation, primarily by CYP2E1, for most of its biological actions. "( Human CYP2E1-dependent and human sulfotransferase 1A1-modulated induction of micronuclei by benzene and its hydroxylated metabolites in Chinese hamster V79-derived cells.
Hu, K; Jiang, H; Lai, Y; Liu, Y; Wei, Q, 2014)		2.07
"Benzene (C6H6) is an organic compound used in petrochemicals and numerous other industries. "( Assessment of benzene induced oxidative impairment in rat isolated pancreatic islets and effect on insulin secretion.
Abdollahi, M; Baeeri, M; Bahadar, H; Maqbool, F; Mostafalou, S; Navaei-Nigjeh, M; Rahimifard, M, 2015)		2.22
"Benzene is a ubiquitous environmental pollutant and an important industrial chemical present in both gasoline and motor vehicle emissions. "( Metabolic Polymorphisms and Clinical Findings Related to Benzene Poisoning Detected in Exposed Brazilian Gas-Station Workers.
Fonseca, AS; Mitri, S; Moreira, JC; Otero, UB; Sarcinelli, Pde N; Tabalipa, MM, 2015)		2.1
"Benzene is a common environmental pollutant that causes hematological alterations. "( Benzene-Induced Aberrant miRNA Expression Profile in Hematopoietic Progenitor Cells in C57BL/6 Mice.
Pu, Y; Sun, R; Tan, K; Wei, H; Yin, L; Zhang, J, 2015)		3.3
"Benzene is an established cause of adult leukemia, but whether it is associated with childhood leukemia remains unclear. "( Parental, In Utero, and Early-Life Exposure to Benzene and the Risk of Childhood Leukemia: A Meta-Analysis.
Carlos-Wallace, FM; Rader, G; Smith, MT; Steinmaus, C; Zhang, L, 2016)		2.13
"Benzene is a ubiquitous occupational and environmental pollutant. "( Biomarkers of susceptibility following benzene exposure: influence of genetic polymorphisms on benzene metabolism and health effects.
Carbonari, D; Chiarella, P; Iavicoli, S; Mansi, A; Pigini, D; Tranfo, G, 2016)		2.15
"Benzene is a recognized environmental leukemogen, however, the mechanisms for its carcinogenesis have not been fully elucidated. "( Overexpression of miR-221 in peripheral blood lymphocytes in petrol station attendants: A population based cross-sectional study in southern China.
Hu, D; Liu, Y; Peng, X; Tang, H; Yang, J; Yuan, J; Zhang, W; Zhu, Z, 2016)		1.88
"Benzene is a volatile aromatic hydrocarbon solvent and is known as one of the predominant air pollutants in the environment. "( Benzene exposure is associated with epigenetic changes (Review).
Costa, C; Fenga, C; Gangemi, S, 2016)		3.32
"Benzene is a known occupational carcinogen associated with increased risk of hematologic cancers, but the relationships between quantity of passive benzene exposure through residential proximity to toxic release sites, duration of exposure, lag time from exposure to cancer development, and lymphoma risk remain unclear."( Resolving uncertainty in the spatial relationships between passive benzene exposure and risk of non-Hodgkin lymphoma.
Bayakly, AR; Bulka, C; Flowers, CR; Koff, JL; Ryan, PB; Switchenko, JM; Waller, LA; Ward, K, 2016)		2.11
"Benzene is an established myeloid leukemogen and probable lymphomagen."( Comparison of hematological alterations and markers of B-cell activation in workers exposed to benzene, formaldehyde and trichloroethylene.
Bassig, BA; Blair, A; Freeman, LE; Ge, Y; Guo, W; Hayes, RB; Hosgood, HD; Hu, W; Huang, H; Ji, Z; Lan, Q; Li, G; Li, L; Purdue, MP; Qiu, C; Rappaport, SM; Reiss, B; Rothman, N; Shen, M; Smith, MT; Tang, X; Vermeulen, R; Wu, B; Xie, Y; Yin, S; Yue, F; Zhang, L, 2016)		1.37
"Benzene is an occupational and environmental pollutant that damages the hematopoietic system through oxidant mechanisms. "( Involvement of hypoxia-inducible factor-1 α (HIF-1α) in inhibition of benzene on mouse hematopoietic system.
Meng, X; Pu, Y; Yin, L; Zhang, J, 2016)		2.11
"Benzene is an environmental and industrial chemical which is widely utilized in various applications. "( MiR-133a regarded as a potential biomarker for benzene toxicity through targeting Caspase-9 to inhibit apoptosis induced by benzene metabolite (1,4-Benzoquinone).
Bai, W; Chen, Y; Gao, A; Sun, P, 2016)		2.13
"Benzene is a well-known hematotoxic carcinogen that can cause leukemia and a variety of blood disorders. "( Benzene Exposure Alters Expression of Enzymes Involved in Fatty Acid β-Oxidation in Male C3H/He Mice.
Cao, M; Meng, X; Pu, Y; Sun, R; Wei, H; Yang, W; Yin, L; Zhang, J, 2016)		3.32
"Benzene is a human carcinogen whose presence in contaminated groundwater drives environmental cleanup efforts. "( Benzene Degradation by a Variovorax Species within a Coal Tar-Contaminated Groundwater Microbial Community.
DeRito, CM; Madsen, EL; Posman, KM, 2017)		3.34
"Benzene is an established cause of adult leukemia, but its role in childhood leukemia is less clear. "( Steinmaus and Smith Respond to "Proximity to Gasoline Stations and Childhood Leukemia".
Smith, MT; Steinmaus, C, 2017)		1.9
"Benzene is a relatively common environmental and occupational contaminant with carcinogenic and clastogenic properties. "( FISH detection of chromosome 1 aberration in human interphase and metaphase lymphocytes after exposure to benzene.
Dianovsky, J; Holeckova, B; Piesova, E; Sivikova, K, 2008)		2
"Benzene is a well known environmental carcinogen which causes myeloid leukemia. "( Generation of phosphorylated histone H2AX by benzene metabolites.
Ibuki, Y; Ishihama, M; Toyooka, T, 2008)		2.05
"Benzene is a ubiquitous toxic environmental pollutant. "( NQO1, MPO, CYP2E1, GSTT1 and GSTM1 polymorphisms and biological effects of benzene exposure--a literature review.
Barchowsky, A; Dougherty, D; Garte, S; Taioli, E; Zmuda, J, 2008)		2.02
"Benzene is an established human hematotoxicant and leukemogen but its mechanism of action is unclear. "( Large-scale evaluation of candidate genes identifies associations between DNA repair and genomic maintenance and development of benzene hematotoxicity.
Berndt, SI; Chanock, S; Hayes, RB; Jo, WJ; Lan, Q; Li, G; Lim, S; Linet, M; Rappaport, SM; Ren, X; Rothman, N; Shen, M; Smith, MT; Vermeulen, R; Vulpe, C; Yeager, M; Yin, S; Yuenger, J; Zhang, L, 2009)		2
"Benzene is an established cause of leukemia, and possibly lymphoma, in humans, but the underlying molecular pathways remain largely undetermined. "( Changes in the peripheral blood transcriptome associated with occupational benzene exposure identified by cross-comparison on two microarray platforms.
Chen, J; Forrest, MS; Hubbard, AE; Lan, Q; Li, G; McHale, CM; Rappaport, SM; Rothman, N; Shen, M; Smith, MT; Vermeulen, R; Yin, S; Zhang, L, 2009)		2.03
"Benzene is a volatile aromatic hydrocarbon solvent which is widely used in many industries. "( Decreased T-cell receptor excision DNA circles in peripheral blood mononuclear cells among benzene-exposed workers.
Chen, JY; Chen, SH; Li, B; Li, YQ; Liu, WW; Yang, LJ; Yu, W, 2009)		2.02
"Benzene is a well-known environmental pollutant that can induce hematotoxicity, aplastic anemia, acute myelogenous leukemia, and lymphoma. "( Benzene activates caspase-4 and -12 at the transcription level, without an association with apoptosis, in mouse bone marrow cells lacking the p53 gene.
Choi, YK; Han, JH; Hirabayashi, Y; Inoue, T; Kanno, J; Kodama, Y; Yi, JY; Yoon, BI, 2009)		3.24
"Benzene is a widespread volatile compound and an environmental contaminant. "( The role of catechols and free radicals in benzene toxicity: an oxidative DNA damage pathway.
Alvarez-Giraldez, LD; Aon-Bertolino, L; Barreto, G; Capani, F; Madureira, D; Saraceno, E, 2009)		2.06
"Benzene is an established human haematotoxin, with substantial interindividual variation in benzene-induced toxicity."( Association between genetic variants in VEGF, ERCC3 and occupational benzene haematotoxicity.
Berndt, SI; Chanock, S; Hosgood, HD; Lan, Q; Li, G; Rothman, N; Shen, M; Smith, M; Vermeulen, R; Yeager, M; Yin, S; Yuenger, J; Zhang, L, 2009)		2.03
"Starbenzene is an aromatic molecule with six pi electrons, but its carbon atoms prefer ptC arrangements rather than the planar trigonal sp(2) arrangements like those in benzene."( Computationally designed families of flat, tubular, and cage molecules assembled with "starbenzene" building blocks through hydrogen-bridge bonds.
Jiang, JL; Wang, ZX; Wu, YB; Zhang, RW, 2010)		1.06
"Benzene is a highly flammable, colorless liquid. "( A multicompartment liver-based pharmacokinetic model for benzene and its metabolites in mice.
Manning, CC; Schlosser, PM; Tran, HT, 2010)		2.05
"Benzene is a well-known human carcinogen, but the ultimate mode of action is still not known. "( The role of DNA repair in benzene-induced carcinogenesis.
Hartwig, A, 2010)		2.1
"Benzene is a ubiquitous chemical in our environment that causes acute leukemia and probably other hematological cancers. "( Advances in understanding benzene health effects and susceptibility.
Smith, MT, 2010)		2.1
"Benzene is a ubiquitous occupational and environmental toxicant. "( In utero and in vitro effects of benzene and its metabolites on erythroid differentiation and the role of reactive oxygen species.
Badham, HJ; Winn, LM, 2010)		2.08
"Benzene is a well-known carcinogen that induces chromosomal instability, including chromosome aberration and aneuploidy. "( Micronucleus-centromere assay in workers occupationally exposed to low level of benzene.
, 2010)		2.03
"Benzene is an established hematotoxic carcinogen which can cause leukemia. "( Methylation of PARP-1 promoter involved in the regulation of benzene-induced decrease of PARP-1 mRNA expression.
Gao, A; Guo, W; Liu, Q; Lu, X; Tian, L; Zuo, X, 2010)		2.04
"Benzene is a common industrial chemical known to induce leukemia and other blood disorders, as well as aneuploidy, in both human blood cells and sperm at exposures > 10 ppm. "( Benzene exposure near the U.S. permissible limit is associated with sperm aneuploidy.
Eskenazi, B; Kurtovich, E; Li, G; Marchetti, F; Rappaport, S; Schmid, TE; Waidyanatha, S; Weldon, RH; Wyrobek, AJ; Xing, C; Young, S; Zhang, L, 2010)		3.25
"Benzene is a widespread air pollutant and a well-known human carcinogen. "( Benzene exposure in childhood: Role of living environments and assessment of available tools.
Guidotti, M; La Torre, G; Manini, P; Petyx, M; Protano, C; Vitali, M, 2010)		3.25
"Benzene is a natural constituent of crude oil and natural gas (0.1-3.0% by volume). "( Airborne concentrations of benzene for dock workers at the ExxonMobil refinery and chemical plant, Baton Rouge, Louisiana, USA (1977-2005).
Booher, LE; Burns, AM; Gaffney, SH; Gelat, RH; Kreider, M; Marshall, JR; Panko, JM; Paustenbach, DJ; Unice, KM; Widner, TE, 2011)		2.11
"Benzene is an established haematotoxic and genotoxic carcinogen. "( Epigenetic modification involved in benzene-induced apoptosis through regulating apoptosis-related genes expression.
Gao, A; Guo, W; Song, S; Tian, L; Zuo, X, 2011)		2.09
"Benzene is a common occupational hazard and a ubiquitous environmental pollutant. "( Phenolic metabolites of benzene inhibited the erythroid differentiation of K562 cells.
Han, QL; Li, XF; Wang, J; Wang, Y; Wu, XR; Xue, M; Yi, ZC, 2011)		2.12
"Benzene is a ubiquitous pollutant; smoking habit, genetic polymorphisms, and analytical difficulties impact the identification of the best biomarker."( A quantitative approach to evaluate urinary benzene and S-phenylmercapturic acid as biomarkers of low benzene exposure.
Bertazzi, PA; Campo, L; Consonni, D; Fustinoni, S; Mercadante, R; Mielzynska, D, 2011)		2.07
"Benzene is a widespread and toxic contaminant. "( Anaerobic benzene degradation by bacteria.
Kleinsteuber, S; Richnow, HH; Vogt, C, 2011)		2.21
"Benzene is a carcinogenic and genotoxic pollutant which mainly affects the people health through the inhalation. "( Spatio-temporal prediction of atmospheric benzene (part I).
Barros, N; Fontes, T, 2012)		2.09
"Benzene is a well-known environmental pollutant that can induce hematotoxicity, aplastic anemia, acute myelogenous leukemia, and lymphoma. "( Differential gene expression profiles of human leukemia cell lines exposed to benzene and its metabolites.
Kim, YJ; Ryu, JC; Sarma, SN, 2011)		2.04
"Benzene is a ubiquitous environmental contaminant and is widely used in industry. "( Genome-wide functional profiling reveals genes required for tolerance to benzene metabolites in yeast.
Gerlovina, I; Hubbard, AE; Loguinov, A; North, M; Smith, MT; Tandon, VJ; Thomas, R; Vulpe, CD; Zhang, L, 2011)		2.04
"Benzene is an important industrial chemical that is also widely present in cigarette smoke, automobile exhaust, and gasoline. "( Effects of benzene and its metabolites on global DNA methylation in human normal hepatic L02 cells.
Fu, J; Hu, J; Ma, H; Sheng, G; Yu, Z; Zhang, W, 2014)		2.23
"Benzene is an established leukemogen at high exposure levels. "( Increased mitochondrial DNA copy number in occupations associated with low-dose benzene exposure.
Albetti, B; Baccarelli, A; Bertazzi, PA; Bollati, V; Bonzini, M; Byun, HM; Carugno, M; Cipolla, M; Cocco, P; Dioni, L; Fustinoni, S; Hoxha, M; Merlo, DF; Pesatori, AC; Satta, G; Zucca, M, 2012)		2.05
"Benzene is an important industrial chemical and an environmental contaminant, but the pathogenesis of hematotoxicity induced by chronic occupational benzene exposure (HCOBE) remains to be elucidated. "( iTRAQ-based proteomic profiling of human serum reveals down-regulation of platelet basic protein and apolipoprotein B100 in patients with hematotoxicity induced by chronic occupational benzene exposure.
Chen, C; Chen, J; Chen, S; Huang, H; Huang, M; Huang, Z; Lai, G; Lang, L; Liang, W; Qiu, X; Wang, H; Wu, B; Xia, L; Zheng, Q, 2012)		2.01
"Benzene is an industrial chemical that causes blood disorders, including acute myeloid leukemia. "( Occupational exposure to benzene and chromosomal structural aberrations in the sperm of Chinese men.
Eskenazi, B; Kurtovich, E; Li, G; Marchetti, F; Rappaport, SM; Schmid, TE; Weldon, RH; Wyrobek, AJ; Xing, C; Zhang, L, 2012)		2.13
"Benzene is a carcinogenic compound used in industrial manufacturing and a common environmental pollutant mostly derived from vehicle emissions and cigarette smoke. "( Modulation of mast cell and basophil functions by benzene metabolites.
Granata, F; Loffredo, S; Marone, G; Staiano, RI; Triggiani, M, 2011)		2.07
"Benzene is a human carcinogen, and BTXs are potential reproductive toxins at low dose exposures. "( Assessment of occupational exposure to benzene, toluene and xylenes in urban and rural female workers.
Andre', JC; Andreozzi, G; Caciari, T; Capozzella, A; Cetica, C; Ciarrocca, M; Fiaschetti, M; Sancini, A; Schifano, MP; Tomei, F; Tomei, G, 2012)		2.09
"Benzene (BN) is a prototypical hematotoxicant, genotoxic carcinogen, and ubiquitous environmental pollutant. "( Study on the cytogenetic changes induced by benzene and hydroquinone in human lymphocytes.
Chunhui, H; Jiaxing, W; Peng, D; Weiyi, P; Xiaomin, W, 2012)		2.08
"Benzene is a primary industrial chemical and a ubiquitous environmental pollutant that causes human leukemia and maybe other malignancies. "( Comparison of aneuploidies of chromosomes 21, X, and Y in the blood lymphocytes and sperm of workers exposed to benzene.
Chen, H; Eskenazi, B; Ji, Z; Kurtovich, E; Li, G; Marchetti, F; Rappaport, S; Schmid, TE; Waidyanatha, S; Weldon, RH; Xing, C; Young, S; Zhang, L, 2012)		2.03
"Benzene is a volatile organic compound known to be carcinogenic to humans (Group 1) and may be present in food. "( Assessment of human exposure to benzene through foods from the Belgian market.
Canfyn, M; De Meulenaer, B; de Schaetzen, T; Jacxsens, L; Kolsteren, P; Lachat, C; Matsiko, E; Medeiros Vinci, R; Van Loco, J; Van Overmeire, I, 2012)		2.11
"Benzene is a certain carcinogen for humans."( Environmental and biological monitoring of benzene in traffic policemen, police drivers and rural outdoor male workers.
Angela, S; Assunta, C; Barbara, S; Carlotta, C; Francesco, T; Gianfranco, T; Giorgia, A; Lara, S; Manuela, C; Maria, F; Nadia, N; Pia, SM; Tiziana, C; Valeria, DG, 2012)		1.36
"Benzene is a major contaminant in various environments, but the mechanisms behind its biodegradation under strictly anoxic conditions are not yet entirely clear. "( Protein-SIP enables time-resolved analysis of the carbon flux in a sulfate-reducing, benzene-degrading microbial consortium.
Buscot, F; Harms, H; Kleinsteuber, S; Richnow, HH; Seifert, J; Tarkka, MT; Taubert, M; Vogt, C; von Bergen, M; Wubet, T, 2012)		2.05
"Benzene is a known environmental pollutant with demonstrated leukemogenic activity. "( How benzene and its metabolites affect human marrow derived mesenchymal stem cells.
Amirizadeh, N; Hosseinkhani, S; Nazem, S; Sadeghizadeh, M; Zolghadr, F, 2012)		2.38
"Benzene is a widespread, naturally occurring substance of environmental concern as systemic exposure in humans is proven to be carcinogenic. "( Benzene absorption in animals and man: an overview.
Hostynek, JJ; Lamel, SA; Maibach, HI, 2012)		3.26
"Benzene is a ubiquitous air pollutant that causes human leukemia and hematotoxic effects. "( Low-dose metabolism of benzene in humans: science and obfuscation.
Bois, FY; Johnson, BA; Kim, S; Kupper, LL; Rappaport, SM; Thomas, R, 2013)		2.14
"Benzene is an aromatic hydrocarbon that, with sufficient cumulative lifetime doses, can cause acute myelogenous leukemia. "( An analysis of historical exposures of pressmen to airborne benzene (1938-2006).
Gross, SA; Keenan, JJ; Novick, RM; Paustenbach, DJ, 2013)		2.07
"Benzene is an established leukotoxin and leukemogen in humans. "( Inhibition of DNA-dependent protein kinase catalytic subunit by small molecule inhibitor NU7026 sensitizes human leukemic K562 cells to benzene metabolite-induced apoptosis.
Bi, YY; Bi, ZY; Kong, MM; Liao, HL; Liu, YQ; Ma, Q; Wang, CH; Wang, H; Wang, LP; Xiao, X; Yan, H; You, H, 2013)		2.04
"Benzene is an occupational hazard and environmental toxicant whose toxic effects are dependent on its metabolism by cytochrome P-450. "( Benzene metabolism by the isolated perfused lung.
Carlson, GP; Powley, MW, 2002)		3.2
"Benzene is a widespread pollutant of which the main source in the outside environment is automotive traffic. "( Lack of sensitivity of urinary trans,trans-muconic acid in determining low-level (ppb) benzene exposure in children.
Accorsi, A; Barbieri, A; Nicoli, L; Raffi, GB; Violante, FS, )		1.8
"Benzene is a ubiquitous pollutant and known human leukemogen. "( Homologous recombination initiated by benzene metabolites: a potential role of oxidative stress.
Winn, LM, 2003)		2.03
"Benzene hydroxylation is a fundamental process in chemical catalysis. "( A proton-shuttle mechanism mediated by the porphyrin in benzene hydroxylation by cytochrome p450 enzymes.
de Visser, SP; Shaik, S, 2003)		2.01
"Benzene is a common toxic volatile substance associated with many industrial processes. "( A note on urinary trans,trans-muconic acid level among Thai press workers.
Neramitraram, P; Praneesrisawasdi, P; Suwansaksri, J; Wiwanitkit, V, )		1.57
"Benzene is an established human leukomogen."( Micronucleus induction in cells co-exposed in vitro to 50 Hz magnetic field and benzene, 1,4-benzenediol (hydroquinone) or 1,2,4-benzenetriol.
Fatigoni, C; Moretti, M; Pasquini, R; Scassellati Sforzolini, G; Villarini, M, )		1.08
"Benzene is a widespread human carcinogen, inducing leukaemia and hematotoxicity. "( The induction of micronuclei in bovine lymphocytes by exposure to benzene and S-9 mix.
Piesova, E; Sivikova, K, 2003)		2
"Benzene is an occupational and environmental toxicant. "( Kinetic factors involved in the metabolism of benzene in mouse lung and liver.
Carlson, G; Sheets, P, 2004)		2.02
"Benzene is a human leukemogen and the metabolites are thought to be deeply involved in benzene leukemogenesis. "( Comparison of mutagenic potentials and mutation spectra of benzene metabolites using supF shuttle vectors in human cells.
Mori, T; Morisawa, S; Nakayama, A; Noguchi, Y; Yagi, T, 2004)		2.01
"Benzene is an occupational and environmental toxicant. "( Benzene metabolism in human lung cell lines BEAS-2B and A549 and cells overexpressing CYP2F1.
Carlson, GP; Sheets, PL; Yost, GS, 2004)		3.21
"Benzene is a widely recognized human carcinogen, the effect of which is attributed to the production of reactive oxygen species (ROS) from its metabolites. "( Dysregulation of apoptosis by benzene metabolites and their relationships with carcinogenesis.
Goto, R; Ibuki, Y, 2004)		2.05
"Benzene is a colorless poisonous liquid with a sweet odor. "( Urine phenol and myeloperoxidase index: an observation in benzene exposed subjects.
Soogarun, S; Suwansaksri, J; Wiwanitkit, V, 2004)		2.01
"Benzene is a potent human leukemogen but the mechanism underlying benzene-induced leukemia remains an enigma due to a number of questions regarding the requirement of extraordinarily long exposure, a relatively low incidence of leukemia for genotoxicity of metabolites and a narrow dose range for leukemogenicity over marrow aplasia (overdoses tend to result in marrow aplasia). "( Mechanism of benzene-induced hematotoxicity and leukemogenicity: current review with implication of microarray analyses.
Hirabayashi, Y; Inoue, T; Kanno, J; Li, GX; Yoon, BI, )		1.94
"Benzene is a human carcinogen and its metabolite, urinary trans,trans-muconic acid (ttMA), is a biomarker for risk assessment. "( A sensitive liquid chromatographic method for the spectrophotometric determination of urinary trans,trans-muconic acid.
Lee, BL; Ong, CN; Ong, HY; Ong, YB, 2005)		1.77
"Benzene is an industrial chemical, component of automobile exhaust and cigarette smoke. "( Toxicogenomic analysis of gene expression changes in rat liver after a 28-day oral benzene exposure.
Groten, JP; Heijne, WH; Jonker, D; Stierum, RH; van Ommen, B, 2005)		2
"Benzene is an industrial chemical and component of gasoline that is an established cause of leukemia. "( Discovery of novel biomarkers by microarray analysis of peripheral blood mononuclear cell gene expression in benzene-exposed workers.
Chanock, SJ; Forrest, MS; Hubbard, AE; Lan, Q; Li, G; Rothman, N; Shen, M; Smith, MT; Vermeulen, R; Wu, YY; Yin, S; Zhang, L; Zhao, X, 2005)		1.98
"Benzene is an established human leukemogen. "( Use of OctoChrome fluorescence in situ hybridization to detect specific aneuploidy among all 24 chromosomes in benzene-exposed workers.
Guo, W; Hubbard, AE; Lan, Q; Li, G; Rappaport, SM; Rothman, N; Smith, MT; Vermeulen, R; Yang, W; Yin, S; Zhang, L, 2005)		1.98
"Benzene is a human carcinogen that induces hematopoietic malignancies. "( Stimulation of topoisomerase II-mediated DNA cleavage by benzene metabolites.
Bender, RP; Lindsey, RH; Osheroff, N, 2005)		2.02
"Benzene is an established human and animal carcinogen. "( Topoisomerase II inhibition by myeloperoxidase-activated hydroquinone: a potential mechanism underlying the genotoxic and carcinogenic effects of benzene.
Eastmond, DA; Hasegawa, L; Mondrala, ST, 2005)		1.97
"Benzene (B) is a typical micro-pollutant present in air, especially urban air. "( Urban air and tobacco smoke in benzene exposure in a cohort of traffic policemen.
Baiocchi, C; Bono, R; Ghittori, S; Gilli, G; Maestri, L; Schilirò, T; Traversi, D, 2005)		2.06
"Benzene is a highly toxic industrial compound that is essential to the production of various chemicals, drugs, and fuel oils. "( Hydroxylation and carboxylation--two crucial steps of anaerobic benzene degradation by Dechloromonas strain RCB.
Chakraborty, R; Coates, JD, 2005)		2.01
"Benzene is a human carcinogen and an ubiquitous environmental pollutant. "( Monitoring low benzene exposure: comparative evaluation of urinary biomarkers, influence of cigarette smoking, and genetic polymorphisms.
Bertazzi, PA; Bonzini, M; Buratti, M; Campo, L; Colombi, A; Consonni, D; Desideri, A; Farmer, PB; Foà, V; Fontana, V; Fustinoni, S; Garte, S; Levy, LS; Merlo, DF; Pala, M; Pesatori, AC; Valerio, F, 2005)		2.12
"Benzene is a human leukemia carcinogen, resulting from its cellular metabolism. "( The p-benzoquinone DNA adducts derived from benzene are highly mutagenic.
Guliaev, AB; Hang, B; Shen, H; Singer, B; Wang, Z; Xie, Z; Zhang, Y, 2005)		2.03
"Benzene is a recognized hematotoxin and leukemogen but its mechanism of action and the role of genetic susceptibility are still unclear. "( Polymorphisms in cytokine and cellular adhesion molecule genes and susceptibility to hematotoxicity among workers exposed to benzene.
Alter, BP; Chanock, S; Dosemeci, M; Forrest, MS; Hayes, RB; Kim, S; Lan, Q; Li, G; Linet, M; Rappaport, SM; Rothman, N; Shen, M; Smith, MT; Vermeulen, R; Waidyanatha, S; Weinberg, RS; Welch, R; Yeager, M; Yin, S; Zhang, L, 2005)		1.98
"Benzene is an important industrial chemical and environmental contaminant that causes leukemia. "( Decreased levels of CXC-chemokines in serum of benzene-exposed workers identified by array-based proteomics.
Chatterjee, N; Gunn, L; Lan, Q; Li, G; McCarthy, D; McGuire, M; Mu, R; Podust, VN; Rothman, N; Smith, MT; Vermeulen, R; Woodbury, RL; Yin, S; Zhang, L, 2005)		2.03
"Benzene is a common element of environmental pollution. "( Long-lasting neurotoxicity of prenatal benzene acute exposure in rats.
Bellia, M; Drago, F; Lo Pumo, R; Micale, V; Nicosia, A, 2006)		2.05
"Benzene is an important environmental pollutant with important health implications. "( Benzene metabolites induce apoptosis in lymphocytes.
Albores, A; Maldonado, V; Martínez-Velázquez, M; Meléndez-Zajgla, J; Ortega, A, 2006)		3.22
"Benzene is a recognized hematotoxicant and carcinogen that produces genotoxic damage. "( Polymorphisms in genes involved in DNA double-strand break repair pathway and susceptibility to benzene-induced hematotoxicity.
Chanock, S; Forrest, MS; Guo, W; Hayes, RB; Lan, Q; Li, G; Linet, M; Rappaport, SM; Rothman, N; Shen, M; Smith, MT; Vermeulen, R; Welch, R; Yeager, M; Yin, S; Zhang, L, 2006)		1.99
"Benzene is a human carcinogen that might act through both genotoxic and nongenotoxic mechanisms to promote tumorigenesis. "( A class of benzenoid chemicals suppresses apoptosis in C. elegans.
Kokel, D; Xue, D, 2006)		1.78
"Benzene is an organic solvent that has been used in industry for about 100 years throughout the world. "( Progress of epidemiological and molecular epidemiological studies on benzene in China.
Li, G; Yin, S, 2006)		2.01
"Benzene is a known leukemogen. "( Ortho-quinones of benzene and estrogens induce hyperproliferation of human peripheral blood mononuclear cells.
Backora, M; Cavalieri, EL; Chakravarti, D; Gaikwad, N; Joshi, SS; Myers, EM; Rogan, EG; Weisenburger, DD; Zahid, M, 2006)		2.11
"Benzene is a recognized haematotoxin and leukaemogen, but its mechanism of action and the role of genetic susceptibility are still unclear. "( Genetic polymorphisms involved in toxicant-metabolizing enzymes and the risk of chronic benzene poisoning in Chinese occupationally exposed populations.
Chen, Y; Ji, Z; Li, G; Liu, L; Ma, D; Xiu, X; Xu, J; Yin, S, 2007)		2
"Benzene is a common groundwater pollutant that is often recalcitrant under the anaerobic conditions that prevail at hydrocarbon-contaminated aquifers. "( Assessment of anaerobic benzene degradation potential using 16S rRNA gene-targeted real-time PCR.
Alvarez, PJ; Da Silva, ML, 2007)		2.09
"Benzene is a common air pollutant and confirmed carcinogen, especially in reference to the hematopoietic system. "( Identification of human cell responses to benzene and benzene metabolites.
Arbieva, Z; Gavin, IM; Gillis, B; Jayaraman, S; King, ST; Prabhakar, BS, 2007)		2.05
"Benzene is a known leukemogen that is metabolized to form reactive intermediates and reactive oxygen species (ROS). "( Benzene's metabolites alter c-MYB activity via reactive oxygen species in HD3 cells.
Wan, J; Winn, LM, 2007)		3.23
"Benzene is an established human and animal carcinogen."( Benzene's toxicity: a consolidated short review of human and animal studies.
Ahmad Khan, H, 2007)		2.5
"Benzene is a leukemogen, and exposure to benzene is an occupational hazard in the petroleum refining industries. "( Association of the NQO1, MPO, and XRCC1 polymorphisms and chromosome damage among workers at a petroleum refinery.
Choi, JY; Chung, HW; Kim, YJ; Paek, D, 2008)		1.79
"Benzene is a known human leukemogen, but its role as an in utero leukemogen remains controversial. "( In utero exposure to benzene increases embryonic c-Myb and Pim-1 protein levels in CD-1 mice.
Wan, J; Winn, LM, 2008)		2.11
"Benzene is a human carcinogen. "( Temporal variation in the association between benzene and leukemia mortality.
Richardson, DB, 2008)		2.05
"Benzene is a frequently used industrial solvent. "( Effects of progesterone on benzene toxicity in rats.
Rana, SV; Verma, Y, 2008)		2.09
"Benzene is a widely recognised cause of leukaemia but its association with non-Hodgkin's lymphoma (NHL) is less well established. "( Meta-analysis of benzene exposure and non-Hodgkin lymphoma: biases could mask an important association.
Jones, RM; Smith, AH; Smith, MT; Steinmaus, C, 2008)		2.13
"Benzene is an important industrial chemical. "( Genotoxicity of intermittent co-exposure to benzene and toluene in male CD-1 mice.
Allison, N; Bird, MG; Dorman, DC; Gao, P; Letinski, DJ; Nicolich, MJ; Roberts, KC; Sharma, S; Struve, MF; Wetmore, BA, 2008)		2.05
"Benzene is a recognized hematotoxicant and carcinogen that produces genotoxic damage. "( Association between mitochondrial DNA copy number, blood cell counts, and occupational benzene exposure.
Bonner, MR; Dosemeci, M; Lan, Q; Li, G; Liu, CS; Shen, M; Vermeulen, R; Yin, S; Zhang, L, 2008)		2.01
"Benzene is a major commodity chemical of great value to industry. "( Benzene in the workplace.
Bernath, T; Brief, RS; Lynch, J; Scala, RA, 1980)		3.15
"Benzene is a human carcinogen; exposure to benzene can result in aplastic anemia and leukemia. "( Differences in xenobiotic detoxifying activities between bone marrow stromal cells from mice and rats: implications for benzene-induced hematotoxicity.
Li, Y; Trush, MA; Zhu, H, 1995)		1.94
"Benzene is an established animal and human carcinogen. "( Exposure to benzene and urinary concentrations of 8-hydroxydeoxyguanosine, a biological marker of oxidative damage to DNA.
Axelson, O; Carere, A; Forastiere, F; Iavarone, I; Lagorio, S; Tagesson, C, 1994)		2.11
"Benzene is a widely used industrial solvent known to cause bone marrow depression. "( Distinct actions of benzene and its metabolites on nitric oxide production by bone marrow leukocytes.
Laskin, DL; Laskin, JD; Punjabi, CJ; Rao, NR; Synder, R, 1995)		2.06
"Benzene is a well known hematotoxicant which induces hematopoietic dyscrasias of varying intensities in different individuals and even in different strains of the same experimental animal species. "( Erythroid progenitor cells that survive benzene exposure exhibit greater resistance to the toxic benzene metabolites benzoquinone and hydroquinone.
Neun, DJ; Penn, A; Snyder, CA, 1994)		2
"Benzene is a widely recognized human and animal carcinogen. "( Chromosomal loss and breakage in mouse bone marrow and spleen cells exposed to benzene in vivo.
Chen, H; Eastmond, DA; Rupa, DS; Tomar, R, 1994)		1.96
"Benzene is a widely used solvent, currently present in the industrial environment at concentrations in the order of ppm. "( [The measurement of a benzene metabolite, urinary S-phenylmercapturic acid (S-PMA), in man by HPLC].
Fiorentino, ML; Ghittori, S; Grignani, E; Imbriani, M; Maestri, L, )		1.89
"Benzene is a known carcinogen and hematopoietic toxin in humans and experimental animals. "( Repeated oral benzene exposure alters enzymes involved in benzene metabolism.
Carr, JB; Daiker, DH; Moslen, MT; Ward, JB, 1996)		2.1
"Benzene is a well-established hematotoxin. "( Hematotoxicity among Chinese workers heavily exposed to benzene.
Bechtold, WE; Blot, W; Dosemeci, M; Hayes, RB; Li, GL; Linet, M; Lu, W; Marti, GE; Rothman, N; Smith, MT; Titenko-Holland, N; Wang, YZ; Xi, LQ; Yin, SN; Zhang, LP, 1996)		1.98
"Benzene is a human carcinogen present naturally in petroleum and gasoline. "( Benzene-, catechol-, hydroquinone- and phenol-induced cell transformation, gene mutations, chromosome aberrations, aneuploidy, sister chromatid exchanges and unscheduled DNA synthesis in Syrian hamster embryo cells.
Barrett, JC; Hayashi, N; Huff, J; Maizumi, H; Tsutsui, T, 1997)		3.18
"Benzene is a well-characterized human carcinogen and clastogen still present in both the occupational and general environment. "( Molecular cytogenetic analysis of buccal cells and lymphocytes from benzene-exposed workers.
Autio, K; Järventaus, H; Norppa, H; Nylund, L; Peltonen, K; Sorsa, M; Surrallés, J; Veidebaum, T, 1997)		1.98
"Benzene is a solvent strictly related to some industrial activities and to automotive emissions. "( Geographical distribution of benzene in air in northwestern Italy and personal exposure.
Bono, R; Gilli, G; Scursatone, E, 1996)		2.03
"Benzene is a clastogenic and carcinogenic agent that induces acute myelogenous leukemia in humans and multiple of tumors in animals. "( Inhibition of human topoisomerase II in vitro by bioactive benzene metabolites.
Chen, H; Eastmond, DA; Frantz, CE, 1996)		1.98
"Benzene is a recognized hematotoxin and leukemogen, but its mechanisms of action in humans are still uncertain. "( An epidemiologic study of early biologic effects of benzene in Chinese workers.
Bechtold, WE; Campleman, S; Dosemeci, M; Haas, R; Hayes, RB; Irons, RD; Kolachana, P; Li, GL; Linet, M; Lu, W; Meyer, KB; Quintana, PJ; Rothman, N; Smith, MT; Stillman, WS; Titenko-Holland, N; Wang, YZ; Wiemels, J; Xi, LQ; Yin, S; Zhang, L, 1996)		1.99
"Benzene is a ubiquitous occupational hematotoxin and leukemogen, but people vary in their response to this toxic agent. "( Benzene poisoning, a risk factor for hematological malignancy, is associated with the NQO1 609C-->T mutation and rapid fractional excretion of chlorzoxazone.
Campleman, S; Dosemeci, M; Hayes, RB; Hoener, B; Li, GL; Linet, M; Lu, W; Meyer, KB; Ross, D; Rothman, N; Smith, MT; Stewart, JT; Titenko-Holland, N; Traver, RD; Wacholder, S; Xi, L; Yin, S; Zhang, L, 1997)		3.18
"Benzene is a widely distributed environmental contaminant known to cause leukemia, particularly acute nonlymphocytic leukemia, and perhaps other hematologic neoplasms and disorders. "( Benzene and the dose-related incidence of hematologic neoplasms in China. Chinese Academy of Preventive Medicine--National Cancer Institute Benzene Study Group.
Dosemeci, M; Hayes, RB; Hoover, RN; Li, CY; Li, GL; Linet, MS; Rothman, N; Travis, LB; Wacholder, S; Yin, SN, 1997)		3.18
"Benzene is an established cause of leukemia in adults, especially acute non-lymphocytic leukemia (ANLL). "( Environmental exposure to gasoline and leukemia in children and young adults--an ecology study.
Järvholm, B; Nordlinder, R, 1997)		1.74
"Benzene is a ubiquitous environmental pollutant that is known to cause hematotoxicity and leukemia in humans. "( Identification of benzene oxide as a product of benzene metabolism by mouse, rat, and human liver microsomes.
Bechtold, WE; Kedderis, GL; Lovern, MR; Meyer, M; Schlosser, PM; Turner, MJ, 1997)		2.07
"Benzene is a widely diffuse solvent; in the industrial environment benzene is currently present at concentrations of ppm. "( [Diffusion sampling of benzene present in the urine].
Cocheo, V; Ghittori, S; Imbriani, M, )		1.88
"Benzene is a widely used industrial neurotoxin. "( Effects of acute benzene exposure on brain enkephalin immunostaining and degradation.
Casis, L; Echevarria, E; Gil, J; Irazusta, J; Serrano, R; Varona, A, )		1.91
"Benzene is an important industrial chemical and, due to its occurrence in mineral oil and its formation in many combustion processes, a widespread environmental pollutant. "( Analysis and evaluation of trans,trans-muconic acid as a biomarker for benzene exposure.
Meger, M; Renner, T; Scherer, G, 1998)		1.98
"Benzene is a ubiquitous environmental pollutant primarily metabolized by a cytochrome P-450 (CYP-450) isoenzyme, CYP-450 IIE1. "( Modifications in the metabolic pathways of benzene in streptozotocin-induced diabetic rat.
Catania, S; Costa, C; Imperatore, C; Pupo, C; Salemi, M; Viscomi, G, 1999)		2.01
"Benzene is a widely distributed environmental contaminant that causes leukemia. "( A survey of personal exposures to benzene in Mexico City.
Ashley, D; Colome, S; Fung, K; Hernandez-Avila, M; Meneses, F; Ramirez, M; Romieu, I, )		1.85
"Benzene is an established human leukemogen that increases the level of chromosome aberrations in lymphocytes of exposed workers. "( Benzene increases aneuploidy in the lymphocytes of exposed workers: a comparison of data obtained by fluorescence in situ hybridization in interphase and metaphase cells.
Dosemeci, M; Hayes, RB; Kolachana, P; Li, GL; Lu, W; Rothman, N; Smith, MT; Titenko-Holland, N; Wang, Y; Wang, YZ; Xi, L; Yin, S; Zhang, L, 1999)		3.19
"Benzene is an occupational hazard and environmental toxicant found in cigarette smoke, gasoline, and the chemical industry. "( Species comparison of hepatic and pulmonary metabolism of benzene.
Carlson, GP; Powley, MW, 1999)		1.99
"Benzene metabolism is a requirement for bone marrow toxicity and the phenolic metabolites, HQ and catechol (CAT), have been implicated in benzene hematotoxicity."( The benzene metabolites hydroquinone and catechol act in synergy to induce dose-dependent hypoploidy and -5q31 in a human cell line.
Irons, RD; Stillman, WS; Varella-Garcia, M, 1999)		1.58
"Benzene is a human leukemogen. "( Leukemia after exposure to benzene: temporal trends and implications for standards.
Finkelstein, MM, 2000)		2.05
"Benzene is an occupational hazard and environmental toxicant found in cigarette smoke, gasoline, and the chemical industry. "( Cytochromes P450 involved with benzene metabolism in hepatic and pulmonary microsomes.
Carlson, GP; Powley, MW, 2000)		2.04
"Benzene (bz) is a common environmental contaminant associated with increased risk of myeloid leukemia. "( Persistence of aneuploid immature/primitive hemopoietic sub-populations in mice 8 months after benzene exposure in vivo.
Giver, CR; Moore, DH; Pallavicini, MG; Wong, R, 2001)		1.97
"Benzene is an important carcinogenic substance used in many industrial processes. "( Urine trans,trans-muconic acid determination for monitoring of benzene exposure in mechanics.
Suwansaksri, J; Wiwanitkit, V, 2000)		1.99
"Benzene (C6H6) is a highly flammable, colorless liquid. "( Physiologically based pharmacokinetic modeling of benzene metabolism in mice through extrapolation from in vitro to in vivo.
Cole, CE; Schlosser, PM; Tran, HT, 2001)		2.01
"Benzene is an air pollutant that is a recognised human carcinogen. "( Personal exposure to benzene and the influence of attached and integral garages.
Brown, V; Crump, D; Mann, HS, 2001)		2.07
"Benzene is a ubiquitous, highly flammable, colorless liquid that is a known hematotoxin, myelotoxin, and human leukemogen. "( A review of quantitative studies of benzene metabolism.
Cole, CE; Lovern, MR; Schlosser, PM, 2001)		2.03
"Benzene contamination is a significant problem. "( Anaerobic benzene oxidation coupled to nitrate reduction in pure culture by two strains of Dechloromonas.
Achenbach, LA; Bender, KS; Chakraborty, R; Coates, JD; Cole, KA; Lack, JG; O'Connor, SM, 2001)		2.16
"Benzene is an important carcinogenic substance used in many industrial processes. "( Feasibility of urinary trans, trans-muconic acid determination using high performance liquid chromatography for biological monitoring of benzene exposure.
Nasuan, P; Suwansaksri, J; Wiwanitkit, V, 2001)		1.96
"Benzene is a widespread pollutant whose main source in the environment is automotive emission. "( Failure of urinary trans,trans-muconic acid as a biomarker for indoor environmental benzene exposure at PPB levels.
Accorsi, A; Barbieri, A; Raffi, GB; Sanguinetti, G; Violante, FS, 2001)		1.98
"Benzene is an occupational and environmental toxicant. "( Cytochrome P450 isozymes involved in the metabolism of phenol, a benzene metabolite.
Carlson, GP; Powley, MW, 2001)		1.99
"Benzene is an occupational and environmental toxicant. "( Hepatic and pulmonary microsomal benzene metabolism in CYP2E1 knockout mice.
Carlson, GP; Powley, MW, 2001)		2.03
"Benzene is an established cause of human leukemia that is thought to act by producing chromosomal aberrations and altered in cell differentiation. "( The nature of chromosomal aberrations detected in humans exposed to benzene.
Eastmond, DA; Smith, MT; Zhang, L, 2002)		1.99
"Benzene is a widely used chemical and common environmental contaminant. "( The mutagenic effects of low level sub-acute inhalation exposure to benzene in CD-1 mice.
Ammenheuser, MM; Legator, MS; Morris, DL; Ramanujam, VM; Ward, JB; Whorton, EB, 1992)		1.96
"Benzene is a well-established hematotoxin that affects developing leukocytes and erythrocytes as well as bone marrow stromal cells. "( Alterations in the morphology and functional activity of bone marrow phagocytes following benzene treatment of mice.
Laskin, DL; MacEachern, L; Snyder, R, 1992)		1.95
"Benzene (Bz) is an important industrial chemical, a petroleum by-product, a component of unleaded gas, and thus a ubiquitous environmental pollutant. "( Effect of subacute benzene exposure on the activity of two neuropeptide-degrading enzymes in the rat brain.
Casis, L; Casis, O; de Gandarias, JM; Echevarría, E; Irazusta, J, 1992)		2.05
"Benzene is a widely diffuse solvent (atmosphere, cigarette smoke, some foods); in the industrial environment benzene is currently present at concentrations of ppm. "( [A method for measuring urinary concentrations of benzene. Its use in monitoring of subjects exposed to low levels].
Fiorentino, ML; Ghittori, S; Pezzagno, G, )		1.83
"Benzene is a myelotoxin and a human leukemogen. "( Benzene hemoglobin adducts in mice and rats: characterization of formation and physiological modeling.
Birnbaum, LS; Henderson, RF; Lucier, G; Medinsky, MA; Sun, JD, 1990)		3.16
"Benzene is an established human leukemogen. "( Characterization of micronuclei induced in human lymphocytes by benzene metabolites.
Eastmond, DA; Paradisin, WM; Robertson, ML; Smith, MT; Yager, JW, 1990)		1.96
"Benzene is a known human leukemogen and animal carcinogen. "( Effect of repeated benzene inhalation exposures on subsequent metabolism of benzene.
Birnbaum, LS; Henderson, RF; Lucier, G; Sabourin, PJ; Sun, JD, 1989)		2.05
"Benzene is a potent carcinogen in CBA/Ca mice."( Hematotoxicity and carcinogenicity of inhaled benzene.
Bullis, JE; Cronkite, EP; Drew, RT; Hirabayashi, Y; Inoue, T, 1989)		1.26
"Benzene is a well documented carcinogen for the hematic and lymphopoietic system, and experimental research confirms its carcinogenicity for tumors of other sites. "( Aplastic anemia, leukemia and other cancer mortality in a cohort of shoe workers exposed to benzene.
Buiatti, E; Kaldor, JM; Miligi, L; Paci, E; Petrioli, G; Pucci, N; Scarpelli, A; Seniori Costantini, AS; Simonato, L; Winkelmann, R, 1989)		1.94
"Benzene is a potent bone marrow toxicant. "( Modulation of the immune response to Listeria monocytogenes by benzene inhalation.
Rosenthal, GJ; Snyder, CA, 1985)		1.95
"Benzene is a myelotoxin which affects hemopoietic progenitor cells leading to bone-marrow depression as well as a genotoxin which causes chromosomal abnormalities including micronucleus formation. "( The prevention of benzene-induced genotoxicity in mice by indomethacin.
Kalf, GF; Pirozzi, SJ; Renz, JF, 1989)		2.05
"Benzene is a potent bone marrow toxicant with particular activity against lymphocytes. "( Inhaled benzene reduces aspects of cell-mediated tumor surveillance in mice.
Rosenthal, GJ; Snyder, CA, 1987)		2.15
"Benzene is a heavily used industrial chemical, a petroleum byproduct, an additive in unleaded gas, and a ubiquitous environmental pollutant. "( Recent advances in the metabolism and toxicity of benzene.
Kalf, GF, 1987)		1.97
"Benzene is a potent hematotoxin and has been shown to cause leukemia in man. "( Differences in the metabolism and disposition of inhaled [3H]benzene by F344/N rats and B6C3F1 mice.
Bechtold, WE; Birnbaum, LS; Henderson, RF; Lucier, G; Sabourin, PJ, 1988)		1.96
"Benzene is a potent bone marrow toxin in animals and man. "( Toxic effects of benzene and benzene metabolites on mononuclear phagocytes.
Adams, DO; Lewis, JG; Odom, B, 1988)		2.06

Effects

Benzene has been consistently associated with hematological disorders, including acute myeloid leukemia and aplastic anemia. The mechanisms causing these disorders are still unclear. Benzene has become one of the most intensely regulated substances in the world.

ExcerptReferenceRelevance
"Benzene has been reported to potentially act via multiple modes of action that target the hematopoietic stem cell (HSCs) niche, a complex microenvironment in which HSCs and multilineage hematopoietic stem and progenitor cells (HSPCs) reside."( Linking Benzene, in Utero Carcinogenicity and Fetal Hematopoietic Stem Cell Niches: A Mechanistic Review.
Abd Hamid, Z; Budin, SB; Taib, IS; Yusoff, NA, 2023)		2.07
"Benzene exposure has been linked to oxidative stress, hepatic damage, aplastic anemia, and hematopoietic cancer as lymphoid and myeloid leukemia."( Quantitative measurement of oxidative damage in erythrocytes as indicator in benzene intoxications.
Arcos-Ortega, T; Granados-López, AJ; Gutiérrez-Hernández, R; López, JA; Martínez-Rodríguez, JL; Reyes-Estrada, CA, 2018)		1.43
"Benzene has shown highest emission factor (EF) among selected volatile organic compounds in all places."( Emission of volatile organic compounds from religious and ritual activities in India.
Chakrabarty, R; Dewangan, S; Pervez, S; Zielinska, B, 2013)		1.11
"Benzene exposure has been associated with increased risk of leukaemia and myelodysplastic syndrome. "( Risk of myeloproliferative disease and chronic myeloid leukaemia following exposure to low-level benzene in a nested case-control study of petroleum workers.
Glass, DC; Irons, RD; Rushton, L; Schnatter, AR; Tang, G, 2014)		2.06
"Benzene exposure has been causally linked with acute myeloid leukemia (AML), but inconsistently associated with other hematopoietic, lymphoproliferative and related disorders (HLD) or solid tumors in humans. "( A retrospective cohort study of cause-specific mortality and incidence of hematopoietic malignancies in Chinese benzene-exposed workers.
Dores, GM; Gilbert, ES; Hayes, RB; Ji, BT; Lan, Q; Li, GL; Linet, MS; Portengen, L; Rothman, N; Tian, HY; Vermeulen, R; Yin, SN, 2015)		2.07
"As benzene has been linked with elevated risk of both acute myeloid leukemia and lymphoma, we explored the effect of benzene exposure on levels of t(8;21), t(15;17), and t(14;18) translocations. "( Chromosome translocations in workers exposed to benzene.
Corso, C; Curry, JD; Germer, S; Higuchi, R; Lan, Q; Li, G; McHale, CM; Rothman, N; Shen, M; Smith, MT; Turakulov, R; Vermeulen, R; Yin, S; Zhang, L, 2008)		1.22
"Benzene has been previously evaluated in 2-year carcinogenicity studies by the National Toxicology Program (1986)."( NTP report on the toxicology and carcinogenesis study of benzene (CAS No. 71-43-2) in genetically modified haploinsufficient p16 Ink4a/p19 Arf mice (gavage study).
, 2007)		1.31
"The benzene ring has close contact with an O-H or C-H bond of fucose in the optimized geometries (OH/pi hydrogen-bonded structures and CH/pi contact structures)."( Magnitude and nature of carbohydrate-aromatic interactions: ab initio calculations of fucose-benzene complex.
Mikami, M; Tsuzuki, S; Uchimaru, T, 2009)		1.05
"As benzene exposure has been associated with childhood leukaemia and other cancers, this study aimed to provide a quantitative risk assessment."( Benzene in infant carrot juice: further insight into formation mechanism and risk assessment including consumption data from the DONALD study.
Alexy, U; Kersting, M; Kuballa, T; Lachenmeier, DW; Reusch, H; Sproll, C, 2010)		2.32
"Benzene exposure has been shown to cause hematotoxicity and leukemia, but the underlying mechanisms involved remain unclear."( Gap junction intercellular communication and benzene toxicity.
Leithe, E; Rivedal, E; Witz, G, 2010)		1.34
"Benzene has been measured throughout the environment and is commonly emitted in several industrial and transportation settings leading to widespread environmental and occupational exposures. "( Benzene exposure: an overview of monitoring methods and their findings.
Weisel, CP, 2010)		3.25
"Benzene has been consistently associated with hematological disorders, including acute myeloid leukemia and aplastic anemia, but the mechanisms causing these disorders are still unclear. "( Benzene induces cytotoxicity without metabolic activation.
Horiuchi, M; Izumo, K; Kawano, Y; Miyahara, E; Nishikawa, T; Okamoto, Y; Takeuchi, T, 2011)		3.25
"Benzene has been internationally recognised as a haematotoxin and carcinogen."( Increased serum levels of advanced oxidation protein products and glycation end products in subjects exposed to low-dose benzene.
Barbaro, M; Carrieri, M; Cimino, F; Gangemi, S; Quattrocchi, P; Saija, A; Saitta, S; Sapienza, D; Spatari, G, 2012)		1.31
"Benzene has been considered as an occupational hematotoxin and leukemogen. "( Benzene-induced histopathological changes and germ cell population dynamics in testes of Sprague Dawley rats.
Bansode, FW; Singh, RK, 2011)		3.25
"Benzene has been associated with various hematotoxins and carcinogens."( Hematological effect of benzene exposure with emphasis of muconic acid as a biomarker.
Amer, NM; El-dossuky, EA; El-Fattah, Ael-S; Emara, AM; Ibrahim, KS; Shahy, EM, 2014)		1.43
"Benzene has been shown to form DNA-adducts in experimental animals but the adducts have proved elusive of detection in human."( Assessing DNA damage and health risk using biomarkers.
Au, WW; Harms, C; Oberheitmann, B, 2002)		1.04
"Benzene has been implicated as an environmental risk factor in leukaemia and other haematological diseases. "( Urban benzene exposure and oxidative DNA damage: influence of genetic polymorphisms in metabolism genes.
Autrup, H; Hertel, O; Loft, S; Skov, H; Sørensen, M, 2003)		2.24
"Benzene has become one of the most intensely regulated substances in the world. "( An overview of occupational benzene exposures and occupational exposure limits in Europe and North America.
Capleton, AC; Levy, LS, 2005)		2.07
"Benzene has been used in various industries as glues or solvents in Korea. "( Occupational exposure to benzene in South Korea.
Ahn, YS; Kang, SK; Kim, TK; Lee, JO; Lee, MY, 2005)		2.07
"Benzene toxicity has long been thought to be due to its metabolites including reactive oxygen species (ROS). "( p53-dependent gene profiling for reactive oxygen species after benzene inhalation: special reference to genes associated with cell cycle regulation.
Hirabayashi, Y, 2005)		2.01
"Benzene exposure has been shown to be related to acute myelogenous leukemia, while the association with multiple myeloma and non-Hodgkin lymphoma has been a much-debated issue. "( Increased risk of acute myelogenous leukemia and multiple myeloma in a historical cohort of upstream petroleum workers exposed to crude oil.
Bråtveit, M; Kirkeleit, J; Moen, BE; Riise, T, 2008)		1.79
"Benzene has the sad privilege of being the only industrial chemical inducing leukemia in susceptible individuals chronically exposed to its vapors. "( An hypothesis for the induction of leukemia by benzene.
Braier, L, 1983)		1.97
"Benzene has been known to be a bone marrow poison for almost a century. "( Benzene: epidemiologic observations of leukemia by cell type and adverse health effects associated with low-level exposure.
Infante, PF; White, MC, 1983)		3.15
"Benzene, which has been associated with human cancers, is metabolized to produce several major metabolites that could be responsible for the biological effects. "( Increase of sister chromatid exchanges and perturbations of cell division kinetics in human lymphocytes by benzene metabolites.
Morimoto, K; Wolff, S, 1980)		1.92
"Benzene has been shown to be a multi-organ carcinogen in animals."( The toxicology of benzene.
Goldstein, BD; Snyder, R; Witz, G, 1993)		1.34
"Benzene has long been recognised as a carcinogen and recent concern has centred on the effects of continuous exposure to low concentrations of benzene both occupationally and environmentally. "( Benzene in the environment: an assessment of the potential risks to the health of the population.
Courage, C; Duarte-Davidson, R; Levy, L; Rushton, L, 2001)		3.2

Actions

Benzene is a recognised cause of haematological cancer. It is a component of petrol. Benzene exposure can cause leukemia, aplastic anemia, and possibly lymphoma.

ExcerptReferenceRelevance
"Benzene poisoning can cause acute myeloid leukemia (AML) through a variety of passways. "( Tim-3 facilitates immune escape in benzene-induced acute myeloid leukemia mouse model by promoting macrophage M2 polarization.
Cui, S; He, X; Jian, T; Jian, X; Li, X; Ning, Q; Shi, L; Zhang, X, 2023)		2.63
"Benzene exposure may cause severe hematotoxicity not only to blood cells in peripheral circulation but also to hematopoietic cells in bone marrow."( Benzene-Induced Aberrant miRNA Expression Profile in Hematopoietic Progenitor Cells in C57BL/6 Mice.
Pu, Y; Sun, R; Tan, K; Wei, H; Yin, L; Zhang, J, 2015)		2.58
"Benzene appeared to increase the frequencies of aneuploid sperm for chromosomes associated with chromosomal abnormality syndromes in human offspring, even in men whose air benzene exposure was at or below the U.S. "( Benzene exposure near the U.S. permissible limit is associated with sperm aneuploidy.
Eskenazi, B; Kurtovich, E; Li, G; Marchetti, F; Rappaport, S; Schmid, TE; Waidyanatha, S; Weldon, RH; Wyrobek, AJ; Xing, C; Young, S; Zhang, L, 2010)		3.25
"Benzene metabolites generate oxidative and cytoskeletal stress, and tolerance requires correct regulation of iron homeostasis and the vacuolar ATPase."( Genome-wide functional profiling reveals genes required for tolerance to benzene metabolites in yeast.
Gerlovina, I; Hubbard, AE; Loguinov, A; North, M; Smith, MT; Tandon, VJ; Thomas, R; Vulpe, CD; Zhang, L, 2011)		1.32
"Benzene, a known cause of AML, is typically a contaminant of toluene."( Benzene-contaminated toluene and acute myeloid leukemia: a case series and review of literature.
Dahlgren, J; Klein, J; Kopstein, M; Peckham, T, 2014)		2.57
"Benzene is known to produce hematotoxicity in occupational exposure workers. "( Metabonomics biomarkers for subacute toxicity screening for benzene exposure in mice.
Chen, Y; Pu, Y; Sun, R; Xiong, M; Yin, L; Zhang, J, 2012)		2.06
"Benzene, a recognised cause of haematological cancer, is a component of petrol."( Haematopoietic cancer mortality among vehicle mechanics.
Hunting, KL; Kalavar, SS; Longbottom, H; Schwartz, E; Stern, F; Welch, LS, 1995)		1.01
"Benzene can inhibit its own metabolism in vitro when present in high concentrations."( Species differences in benzene hydroxylation to phenol by pulmonary and hepatic microsomes.
Drew, RT; Fouts, JR; Harper, C, )		1.16
"Benzene was shown to inhibit NK activity at concentrations of 1 x 10(-5) M-5 x 10(-5) M, phenol at concentrations of 1 x 10(-7)-5 x 10(-5) M and hydroquinone at concentrations of 1 x 10(-6) M-1 x 10(5) M."( Effect of benzene and its metabolites on natural killer activity of mouse spleen cells in vitro.
Fan, XH; Hirata, Y; Minami, M, 1989)		1.4
"Benzene exposure can cause leukemia, aplastic anemia, and possibly lymphoma. "( Quantitative assessment of lives lost due to delay in the regulation of occupational exposure to benzene.
Landrigan, PJ; Nicholson, WJ, 1989)		1.94

Treatment

Benzene-treated animals were pretreated with phenobarbital (PB), 3-methylcholanthrene (3-MCA), SKF-525A, or Aroclor 1254. Both benzene-treatment schemes caused aplastic anemia, however, the disease was masked by spleen toxicity in group 1B.

ExcerptReferenceRelevance
"4. Benzene treatment of rabbits also resulted in an enhanced hydroxyl radical-dependent metabolism of ethanol and benzene in liver microsomes."( On the significance of the cytochrome P-450-dependent hydroxyl radical-mediated oxygenation mechanism.
Hagbjörk, AL; Ingelman-Sundberg, M, 1982)		0.78
"Benzene-treated animals were pretreated with phenobarbital (PB), 3-methylcholanthrene (3-MCA), SKF-525A, or Aroclor 1254."( Modifications in the myeloclastogenic effect of benzene in mice with toluene, phenobarbital, 3-methylcholanthrene, Aroclor 1254 and SKF-525A.
Gad-El-Karim, MM; Harper, BL; Legator, MS, 1984)		1.24
"Benzene treatment, however, resulted in a decrease in the levels of certain endogenous adducts, the biological significance of which is unknown."( Lack of DNA adduct formation in mice treated with benzene.
Blackburn, GR; Mackerer, CR; Reddy, MV; Schultz, SC, 1994)		1.26
"Both benzene-treatment schemes caused aplastic anemia, however, the disease was masked by spleen toxicity in group 1B."( A model for the induction of aplastic anemia by subcutaneous administration of benzene in mice.
Barrera Escorcia, E; Betancourt Rule, M; García Lorenzana, M; González Ramírez, C; Muñoz Torres, A; Ortiz Monroy, V; Tapia Aguilar, R; Velasco Lezama, R, 2001)		0.99
"Benzene treatment of mice also resulted in enhanced chemotaxis and production of hydrogen peroxide by bone marrow granulocytes and mononuclear phagocytes."( Alterations in the morphology and functional activity of bone marrow phagocytes following benzene treatment of mice.
Laskin, DL; MacEachern, L; Snyder, R, 1992)		1.23
"Benzene treatment was also found to induce a small but significant (p less than or equal to 0.02) increase in the production of IL-1 by bone marrow leukocytes."( Increased production of tumor necrosis factor-alpha by bone marrow leukocytes following benzene treatment of mice.
Laskin, DL; MacEachern, L, 1992)		1.23
"Benzene treatment markedly enhanced hydroxylation rats of p-nitrophenol by liver and kidney by 7.2- and 4.2-fold, respectively."( Stimulatory effects of benzene on rabbit liver and kidney microsomal cytochrome P-450 dependent drug metabolizing enzymes.
Adali, O; Arinç, E; Güray, T; Işcan, M, 1991)		1.31
"Benzene pretreatment also had no effect, in either species, on formation of [14C]benzene-derived hemoglobin adducts."( Effect of repeated benzene inhalation exposures on benzene metabolism, binding to hemoglobin, and induction of micronuclei.
Birnbaum, LS; Henderson, RF; Lucier, G; MacGregor, JT; Sabourin, PJ; Sun, JD; Wehr, CM, 1990)		1.33
"Benzene treatment had no selective cytotoxic effects on subpopulations of bone marrow cells."( Activation of bone marrow phagocytes following benzene treatment of mice.
Laskin, DL; MacEachern, L; Snyder, R, 1989)		1.26
"Also benzene treatment of rats caused an increased rate of microsomal benzene metabolism."( Benzene metabolism by ethanol-, acetone-, and benzene-inducible cytochrome P-450 (IIE1) in rat and rabbit liver microsomes.
Ingelman-Sundberg, M; Johansson, I, 1988)		2.17
"Treatment with benzene or toluene resulted in spleenomegaly that may be a more generalized solvent effect on the circulating RBCs."( Correlation of benzene metabolism and histological lesions in rainbow trout (Salmo gairdneri).
Cooper, KR; Kindt, V; Snyder, R, 1984)		0.96
"Pretreatment with benzene did not change the O-dealkylation in bone marrow, but had a stimulating effect on benzene monooxygenation and covalent binding of 14C-benzene metabolites."( Characterization of the benzene monooxygenase system in rabbit bone marrow.
Gollmer, L; Graf, H; Ullrich, V, 1984)		0.9
"Treatment of benzene hemopathy based on the oral administration of "anti-benzene compounds" such as methyl-donors and thiol-aminoacids is proposed here based on personal research in rabbits, in leukemic patients treated by benzene in the past and on myself as a volunteer."( An hypothesis for the induction of leukemia by benzene.
Braier, L, 1983)		0.88
"Pretreatment with benzene, but not BNF, increased benzene metabolism in these preparations."( Effects of enzyme induction on microsomal benzene metabolism.
Post, GB; Snyder, R, )		0.72

Toxicity

Benzene-induced hematopoietic toxicity is an aryl hydrocarbon receptor (AhR)-related adverse effect. The data support a possible link between the effect of MUC on gap junctions, and the toxic effects of benzene.

ExcerptReferenceRelevance
"25 cases of clinically severe toxic polyneuropathy were observed among young people in Berlin who were addicted to sniffing methylethylketone-containing solvents."( [Sniffing addiction: chronic solvent abuse with neurotoxic effects in children and juveniles (author's transl)].
Altenkirch, H, 1979)		0.26
" This is in accordance with the principles of modern occupational medicine which requires identification of early changes and prevention of irreversible benzene induced toxic changes in the haematopoietic system."( [Early detection of the toxic effects of benzene on the hematopoietic system--the imperative of modern occupational medicine].
Bogadi-Sare, A, 1992)		0.75
"It has long been recognized that benzene exposure produces disparate toxic responses among different species or even among different strains within the same species."( Evidence for strain-specific differences in benzene toxicity as a function of host target cell susceptibility.
Neun, DJ; Penn, A; Snyder, CA, 1992)		0.83
" We thus hypothesize that free radicals contribute, at least in part, to the toxic and leukemogenic effects of benzene."( Potential role of free radicals in benzene-induced myelotoxicity and leukemia.
Eastmond, DA; Ross, D; Smith, MT; Subrahmanyam, VV, 1991)		0.77
" Quinol is oxidised to p-benzoquinone, which binds to vital cellular components or undergoes redox cycling to generate oxygen radicals; muconaldehyde, like p-benzoquinone, is toxic through depletion of intracellular glutathione."( The toxicity of benzene and its metabolism and molecular pathology in human risk assessment.
Anderson, D; Parke, DV; Yardley-Jones, A, 1991)		0.63
" Hydroquinone (HQ), a toxic bone marrow (BM) metabolite of BZ, causes time- and concentration-dependent inhibition of processing of the 34-Kd pre-interleukin-1 alpha (IL-1 alpha) to the 17-Kd mature cytokine in murine P388D1 macrophages and BM stromal macrophages, as measured by Western immunoblots of cell lysate proteins using a polyclonal rabbit antimurine IL-1 alpha antibody."( Role for interleukin-1 (IL-1) in benzene-induced hematotoxicity: inhibition of conversion of pre-IL-1 alpha to mature cytokine in murine macrophages by hydroquinone and prevention of benzene-induced hematotoxicity in mice by IL-1 alpha.
Kalf, GF; Renz, JF, 1991)		0.56
" Saturation of benzene metabolism could limit the production of toxic species."( Hematotoxicity and concentration-dependent conjugation of phenol in mice following inhalation exposure to benzene.
Nerland, DE; Wells, MS, 1991)		0.85
" These findings bring further support to the hypothesis that the toxic and genotoxic effects of benzene are produced by several metabolites acting synergistically."( Genotoxicity of two metabolites of benzene: phenol and hydroquinone show strong synergistic effects in vivo.
Barale, R; Barrai, I; Betti, C; Loprieno, N; Marrazzini, A; Vangelisti, V, 1990)		0.77
") of Poly IC, an interferon inducer with immunomodulating potential was found to be ameliorate some of the adverse effects of benzene as well as restoration of hepatic architecture histologically."( Modulation of benzene toxicity by polyinosinic-polycytidilic acid, an interferon inducer.
Khan, S; Krishnamurthy, R; Pandya, KP; Ray, PK, 1989)		0.84
" Even at this low dose, benzene is too toxic toward developing erythrocytes to allow the evaluation of micronucleus formation."( The prevention of benzene-induced genotoxicity in mice by indomethacin.
Kalf, GF; Pirozzi, SJ; Renz, JF, 1989)		0.92
" Phenol is metabolized in the marrow cells by a peroxidase-mediated pathway to hydroquinone and catechol, and ultimately to quinones, the putative toxic metabolites."( Recent advances in the metabolism and toxicity of benzene.
Kalf, GF, 1987)		0.53
"The determination of safe sampling volumes of benzene and acetone on air samplers filled with Porapak Q, Chromosorb 101, 102 and 103 is described."( Styrene copolymers as pollutant adsorbents. Safe sampling volume determination.
Ascanelli, M; Betti, A; Coppi, S, 1987)		0.53
" Prior administration of 6MFA, an interferon inducer with immunomodulating potential, was found to ameliorate some of the adverse effects of benzene as well as restoration of hepatic architecture histologically."( Modulation of benzene toxicity by an interferon inducer (6MFA).
Gupta, A; Khan, WA; Pandya, KP; Ray, PK; Shanker, R, 1986)		0.83
" The maternal toxic effects at all solvents were moderate and dose dependent."( On the embryotoxic effects of benzene and its alkyl derivatives in mice, rats and rabbits.
Tátrai, E; Ungváry, G, 1985)		0.56
" Some ethylene glycol ethers are also toxic to bone marrow."( Kidney disorders and hematotoxicity from organic solvent exposure.
Bernard, A; Buchet, JP; Lauwerys, R; Viau, C, 1985)		0.27
" It is concluded that ethanol potentiates benzene toxicity by accelerating (1) hydroxylation of benzene, a rate-limiting step of benzene metabolism and (2) transformation of phenol into highly toxic metabolites."( Effects of ethanol and phenobarbital administration on the metabolism and toxicity of benzene.
Nakajima, T; Okuyama, S; Sato, A; Yonekura, I, 1985)		0.76
" Also hydroquinone gave rise to adverse effects in the parameters studied, but the sequence of occurrence was different from that observed with benzene."( Mechanism of benzene toxicity. Effects of benzene and benzene metabolites on bone marrow cellularity, number of granulopoietic stem cells and frequency of micronuclei in mice.
Högstedt, B; Olofsson, T; Tunek, A, 1982)		0.83
" Given a similar degree of exposure, why do some workers remain apparently unaffected, while others develop alterations of the hemopoietic system? It is hypothesized that inadequate nutritional status of possibly several nutrients including iron, selenium, methionine and ascorbic acid may enhance susceptibility to adverse effects caused by benzene."( Does nutritional status affect benzene induced toxicity and/or leukemia?
Calabrese, EJ, 1980)		0.72
" Benzene inhalation at a 150 mg/m3 concentration brought about a slight toxic effect at a 450 mg/m3 concentration a more pronounced effect on both mothers and fetuses."( Concentration dependence of the embryotoxic effects of benzene inhalation in CFY rats.
Barcza, G; Hudák, A; Lörincz, M; Rodics, K; Tátrai, E; Ungváry, G, 1980)		1.42
" However, susceptibility to these toxic effects may be related to a balance between activation (phase I) and detoxication (phase II) reactions."( In vitro conjugation of benzene metabolites by human liver: potential influence of interindividual variability on benzene toxicity.
Medinsky, MA; Schlosser, P; Seaton, MJ, 1995)		0.6
" All of these chemicals are only moderately to mildly toxic at acute doses."( Acute toxicity of gasoline and some additives.
Kimbrough, RD; Reese, E, 1993)		0.29
" To evaluate the probability that a specific degree of exposure will produce an adverse effect, risk assessment methods must be used."( Benzene toxicity and risk assessment, 1972-1992: implications for future regulation.
Bass, RD; Paustenbach, DJ; Price, P, 1993)		1.73
" twice weekly for 2 weeks), ameliorated most of the adverse effects of benzene."( Modulation of benzene induced toxicity by protein A.
Dwivedi, PP; Kumar, A; Pandya, KP; Rao, GS; Ray, PK; Shankar, U, 1993)		0.88
" Benzene was the least toxic (LD50 = 20 mM), while BQ showed the highest potency (LD50 = 10 microM), followed by HQ (LD50 = 40 microM)."( Cytotoxicity and DNA strand breaks induced by benzene and its metabolites in Chinese hamster ovary cells.
Ong, CN; Shi, CY; Sze, CC, )		1.3
" Consistent with this hypothesis, our studies initially demonstrated that benzene is metabolized in vitro to trans-trans-muconaldehyde (MUC), a reactive six-carbon diene dialdehyde, and that MUC is toxic to the bone marrow in a manner similar to benzene."( Reactive ring-opened aldehyde metabolites in benzene hematotoxicity.
Goldstein, BD; Witz, G; Zhang, Z, 1996)		0.78
" Model validation has been achieved by predicting the LD50 and/or fractional group mortality in 38 protracted-dose experiments (rats and mice) that were not used in fitting of model coefficients."( Modeling marrow damage from response data: evolution from radiation biology to benzene toxicity.
Hasan, JS; Jones, DT; Morris, MD, 1996)		0.52
" These results suggest that reproductive function in hens is sensitive to adverse effects of contaminated drinking water."( Drinking water contaminants (arsenic, cadmium, lead, benzene, and trichloroethylene). 2. Effects on reproductive performance, egg quality, and embryo toxicity in broiler breeders.
Kemppainen, BW; Lenz, SD; McElhenney, WH; Renden, JA; Vodela, JK, 1997)		0.55
" These metabolites are activated to toxic and genotoxic species in the bone marrow via oxidation by myeloperoxidase (MPO)."( Modulation of the toxicity and macromolecular binding of benzene metabolites by NAD(P)H:Quinone oxidoreductase in transfected HL-60 cells.
Smith, MT; Varykoni, A; Wiemels, J; Wiencke, JK, 1999)		0.55
" That is, whether (1) toxic benzene effects are caused by metabolites not derived from phenol (e."( CYP2E1-dependent benzene toxicity: the role of extrahepatic benzene metabolism.
Bernauer, U; Ellrich, R; Gundert-Remy, U; Heinrich-Hirsch, B; Jänig, GR; Vieth, B, )		0.76
" Benzene, known as a representative volatile organic compound, was chosen as a sample toxic gas to evaluate the performance of this biosensor based on the bioluminescent response."( A biosensor for the detection of gas toxicity using a recombinant bioluminescent bacterium.
Chang, ST; Gil, GC; Gu, MB; Mitchell, RJ, 2000)		1.22
" Since P-450 catalyzed oxidation of benzene is crucial to its toxic effects, the action of DAMC and related analogues were considered promising in preventing the genotoxicity due to benzene."( Chemoprevention of benzene-induced bone marrow and pulmonary genotoxicity.
Adhikari, JS; Bose, M; Dwarakanath, BS; Jain, SC; Kohli, E; Malik, S; Olsen, CE; Parmar, VS; Raj, HG; Rohil, V; Tyagi, YK, 2001)		0.91
" This requires a thorough knowledge of the possible mechanisms of toxic action, and of the physiology of the target organs."( Toxicodynamic modelling and the interpretation of in vitro toxicity data.
Blaauboer, BJ, 2001)		0.31
"The presence of toxic aromatic organic compounds in industrial wastewater affects the efficiency of conventional biological treatment."( Kinetics and toxicity of direct reaction between ozone and 1,2-dihydrobenzene in dilute aqueous solution.
Carrasco, V; Mansilla, H; Mondaca, MA; Perez, L; Soto, G; Zaror, C, 2001)		0.54
" Benzene and phenol gave no response, but the metabolites catechol and hydroquinone were equally toxic to the stromal and the myeloid progenitor cells."( Use of in vitro assays to assess hematotoxic effects of environmental compounds.
Leppens, H; Schoeters, GE; Van Den Heuvel, RL, 2001)		1.22
" People vary greatly in their susceptibility to adverse health outcomes from benzene exposure."( [Individual susceptibility to hematotoxicity from benzene exposure and the genetic polymorphism of metabolic enzymes].
Chen, Y; Li, G; Yin, S, 2002)		0.8
"NAD(P)H: quinone oxidoreductase-1 (NQO1) detoxifies benzoquinones, proposed toxic metabolites of benzene."( Genetic susceptibility to benzene-induced toxicity: role of NADPH: quinone oxidoreductase-1.
Abernethy, DJ; Bauer, AK; Borghoff, S; Butterworth, BE; Everitt, J; Faiola, B; Gonzalez, FJ; Jaiswal, AK; Marchan, R; Parkinson, H; Pluta, LJ; Recio, L; Roberts, K; Wong, VA, 2003)		0.84
"The research of benzene and toluene toxic effects has been carried out in the Republic of Croatia."( [Toxic effects of benzene and toluene].
Bogadi-Sare, A; Zavalić, M, )		0.81
" Here we compared the toxic effects of benzene on mice (C57BL/6 and 129/Sv) homozygous for the wild-type Prkdc allele and mice (129/SvJ) homozygous for a Prkdc functional polymorphism that leads to diminished DNA-PK activity and enhanced apoptosis in response to radiation-induced damage."( Variations in Prkdc and susceptibility to benzene-induced toxicity in mice.
Abernethy, DJ; Bauer, AK; Everitt, JI; Faiola, B; Fuller, ES; Mangum, JB; Pluta, LJ; Recio, L; Wong, VA, 2003)		0.85
"The symposium overview describes the recent succession of scientific meetings to further understand the adverse effects of benzene."( International symposium: Recent advances in benzene toxicity.
Bird, MG; Greim, H; Rice, JM; Snyder, R, 2005)		0.8
" The resulting QSARs revealed that the 1-octanol/water partition coefficient (log K(ow)), is the most important descriptor of aldehyde aquatic toxic potency."( QSARs for the aquatic toxicity of aromatic aldehydes from Tetrahymena data.
Netzeva, TI; Schultz, TW, 2005)		0.33
" Transgenic cytochrome P450 IIE1 mice may help in understanding further toxic manifestations of benzene."( Biochemical toxicity of benzene.
Rana, SV; Verma, Y, 2005)		0.85
" This may be relevant for the assessment of benzene toxic profile for the progeny of pregnant subjects, although teratogenic effects are not observed."( Long-lasting neurotoxicity of prenatal benzene acute exposure in rats.
Bellia, M; Drago, F; Lo Pumo, R; Micale, V; Nicosia, A, 2006)		0.86
"Petrochemical industry representatives often withhold information and misinterpret positive evidence of toxicity of benzene, even from their own research, also discouraging or delaying disclosure of findings of adverse effects to the public."( The past suppression of industry knowledge of the toxicity of benzene to humans and potential bias in future benzene research.
Infante, PF, )		0.58
" Considering that many toxic effects of AhR ligands are dependent on AhR activation, our first objective was to determine if benzene, hydroquinone (HQ) or benzoquinone (BQ) could activate the AhR."( Investigating the role of the aryl hydrocarbon receptor in benzene-initiated toxicity in vitro.
Badham, HJ; Winn, LM, 2007)		0.79
" The halogenated phenols and anilines exhibit a higher toxic potency than their hydrophobicity, whereas 2,4-dinitrochlorobenzene is electrophile with the halogen acting as the leaving group."( QSARS for acute toxicity of halogenated benzenes to bacteria in natural waters.
Li, YM; Lu, GH; Wang, C, 2006)		0.81
" Amifostine is a well-known cytoprotective agent and has been widely used in clinical for protecting normal tissues from the toxic effects of chemotherapy and radiotherapy."( Amifostine protects bone marrow from benzene-induced hematotoxicity in mice.
Chen, Y; Liu, XH; Ren, XZ; Yang, KY; Yu, K, )		0.4
" While, chemical analysis showed biodegradation of parent BTEX compounds in biologically active soils, the biosensor assays reported on changes in bioavailability and potentially toxic intermediate fractions as they estimated the integrative effect of contaminants."( Application of luminescent biosensors for monitoring the degradation and toxicity of BTEX compounds in soils.
Dawson, JJ; Iroegbu, CO; Maciel, H; Paton, GI, 2008)		0.35
" It is believed that benzene exerts its adverse effects by metabolic activation to toxic metabolites."( Benzene's toxicity: a consolidated short review of human and animal studies.
Ahmad Khan, H, 2007)		2.1
" Its toxic manifestations could be modified by sex hormones, but mechanisms of their action are poorly understood."( Effects of progesterone on benzene toxicity in rats.
Rana, SV; Verma, Y, 2008)		0.64
" Although the 50% effective concentration values in the device were much higher than 50% lethal concentration values reported in animal experiments, the tendency of the toxic intensity observed in the former was roughly consistent with that of the acute toxicity in the latter."( Development of an in vitro batch-type closed gas exposure device with an alveolar epithelial cell line, A549, for toxicity evaluations of gaseous compounds.
Fujii, T; Komori, K; Miyajima, S; Mohri, S; Murai, K; Ono, Y; Sakai, Y, 2008)		0.35
" To determine whether the genotype at these loci might influence susceptibility to the adverse effects of benzene exposure, 208 Bulgarian petrochemical workers and controls, whose exposure to benzene was determined by active personal sampling, were studied."( Genetic susceptibility to benzene toxicity in humans.
Bolognesi, C; Farmer, P; Garte, S; Merlo, F; Popov, T; Taioli, E, 2008)		0.86
" In vitro functional studies revealed that deletion of SGS1 in yeast, equivalent to lacking BLM and WRN function in humans, caused reduced cellular growth in the presence of the toxic benzene metabolite hydroquinone, and knockdown of WRN using specific short hairpin RNA increased susceptibility of human TK6 cells to hydroquinone toxicity."( Large-scale evaluation of candidate genes identifies associations between DNA repair and genomic maintenance and development of benzene hematotoxicity.
Berndt, SI; Chanock, S; Hayes, RB; Jo, WJ; Lan, Q; Li, G; Lim, S; Linet, M; Rappaport, SM; Ren, X; Rothman, N; Shen, M; Smith, MT; Vermeulen, R; Vulpe, C; Yeager, M; Yin, S; Yuenger, J; Zhang, L, 2009)		0.75
"Exposure of humans to benzene present in environment may lead to adverse chronic effects-even at the genetic level."( In silico studies with human DNA topoisomerase-II alpha to unravel the mechanism of in vitro genotoxicity of benzene and its metabolites.
Ajmani, S; Bajpayee, M; Dhawan, A; Gurbani, D; Pandey, AK; Parmar, D, 2009)		0.88
" Since it causes important toxic effects in workers exposed to low levels, long-term exposure to this compound has been extensively studied."( The role of catechols and free radicals in benzene toxicity: an oxidative DNA damage pathway.
Alvarez-Giraldez, LD; Aon-Bertolino, L; Barreto, G; Capani, F; Madureira, D; Saraceno, E, 2009)		0.62
" Taken together, the data support a possible link between the effect of MUC on gap junctions, and the toxic effects of benzene."( Gap junction intercellular communication and benzene toxicity.
Leithe, E; Rivedal, E; Witz, G, 2010)		0.83
" Susceptibility to the toxic effects of benzene has been suggested to occur partly because of polymorphisms in enzymes involved in benzene metabolism which include cytochrome P450 2E1, epoxide hydrolases, myeloperoxidase, glutathione-S-transferases and quinone reductases."( Relationships between metabolic and non-metabolic susceptibility factors in benzene toxicity.
Ross, D; Zhou, H, 2010)		0.86
"Benzene-induced hematopoietic toxicity is an aryl hydrocarbon receptor (AhR)-related adverse effect that is not exhibited in AhR-knockout (KO) mice."( Benzene-induced bone-marrow toxicity: a hematopoietic stem-cell-specific, aryl hydrocarbon receptor-mediated adverse effect.
Hirabayashi, Y; Inoue, T, 2010)		3.25
" The equation indicates that the toxic action is a two-step process: the pass of the chemicals through the cell membrane (described by logK(OW)) and the electron-transfer reaction of the chemicals with biomolecules (described by E(HOMO) and DeltaE)."( Toxicity of aromatic compounds to Tetrahymena estimated by microcalorimetry and QSAR.
Li, X; Liu, P; Min, X; Zhang, T, 2010)		0.36
" In this study, fetal murine hematopoietic cells from pZK1 transgenic mice were exposed to p-benzoquinone (BQ), a toxic metabolite of benzene, and assessed for DNA recombination, DNA damage including DNA DSBs as measured by γ-H2A."( DNA double-strand breaks and DNA recombination in benzene metabolite-induced genotoxicity.
Macdonald, KD; Philbrook, NA; Tung, EW; Winn, LM, 2012)		0.84
" Here, we first evaluated the toxic response of human-like hematopoietic lineage in NOG mice to a representative toxic agent, benzene."( Assessment of benzene-induced hematotoxicity using a human-like hematopoietic lineage in NOD/Shi-scid/IL-2Rγnull mice.
Hosokawa, M; Matsunaga, T; Nakasono, S; Otsuka, K; Takahashi, M; Tsujimura, N; Yoshino, T, 2012)		0.95
" General behavior adverse effects were observed, and poisoned mouse were dissected to observe visceral lesions."( Acute oral toxicity and liver oxidant/antioxidant stress of halogenated benzene, phenol, and diphenyl ether in mice: a comparative and mechanism exploration.
Feng, M; Shi, J; Wang, Z; Wei, Z; Zhang, X, 2013)		0.62
" To be carcinogenic, benzene must be metabolized to produce toxic metabolites."( Microsomal epoxide hydrolase (EPHX1) polymorphisms are associated with aberrant promoter methylation of ERCC3 and hematotoxicity in benzene-exposed workers.
Chen, Q; Guo, X; Hou, L; Li, G; Liu, X; Wang, QF; Xing, C; Zhang, L; Zheng, M; Zou, Z, 2013)		0.91
"Gaseous benzene exposure has toxic effect on genetics of mouse bone marrow cells."( [Study on genetic toxicity of gaseous benzene to mouse bone marrow cells].
Chen, Q; Liu, X; Sun, Z; Yu, G; Zhao, S, 2014)		1.11
" The aim of this study was to evaluate the toxic effects of individual and mixed BTEX on Euglena gracilis (E."( Toxic effects of individual and combined effects of BTEX on Euglena gracilis.
Lee, JW; Ng, JC; Peng, C; Sichani, HT, 2015)		0.42
" This study aimed to examine the effect of benzene and its metabolite hydroquinone on glucose regulating organs, liver and pancreas, and to reveal the involved toxic mechanisms, in rats."( The molecular mechanisms of liver and islets of Langerhans toxicity by benzene and its metabolite hydroquinone in vivo and in vitro.
Abdollahi, M; Baeeri, M; Bahadar, H; Ghafour-Boroujerdi, E; Gholami, M; Maqbool, F; Mostafalou, S, 2015)		0.91
" The main objective of this study was to ascertain whether polymorphism of GSTP1, GSTM1, GSTT1 and CYP2E1 genes might influence susceptibility to the adverse effects of benzene among employees of a petrochemical plant."( Association between polymorphism of GSTP1, GSTT1, GSTM1 and CYP2E1 genes and susceptibility to benzene-induced hematotoxicity.
Bazzaz, JT; Mansoori, Y; Neghab, M; Nejat, S; Nourozi, MA; Shahtaheri, SJ, 2018)		0.89
"Benzene series compounds (BTEX) are toxic pollutants primarily generated by traffic activities in an urban environment."( Modelling benzene series pollutants (BTEX) build-up loads on urban roads and their human health risks: Implications for stormwater reuse safety.
Guan, Y; Hong, N; Liu, A; Wang, H; Yang, M; Zhao, X; Zhu, P, 2018)		2.33
"Benzene homologues have significant toxic effects to aquatic organisms."( Effective extrapolation models for ecotoxicity of benzene, toluene, ethylbenzene, and xylene (BTEX).
Feng, C; Huang, Y; Li, L; Ling, J; Xu, J; Yan, Z; Zheng, L, 2020)		2.25
" In this study, the toxic effect of benzene on autophagy and apoptosis in benzene-exposed workers and in vitro were verified."( The crosstalk between autophagy and apoptosis was mediated by phosphorylation of Bcl-2 and beclin1 in benzene-induced hematotoxicity.
Chen, Y; Gao, A; Guo, X; Ren, J; Zhang, W, 2019)		1
"Chronic benzene (BZ) exposure is associated with multiple adverse health effects and leads to progressive bone marrow failure (BMF)."( Epimedium polysaccharides attenuates hematotoxicity by reducing oxidative stress and enhancing immune function in mice model of benzene-induced bone marrow failure.
He, J; Ji, C; Ji, M; Liu, N; Ma, D; Zang, S, 2020)		1.2
"The adverse health effects of benzene occupational and circumstance pollution exposure are an increasing concern."( Kefir milk alleviates benzene-induced immunotoxicity and hematotoxicity in rats.
Ben Dhia, O; Ben-Hadj-Khalifa, S; Charfi, L; Doghri, R; Harizi, N; Lasram, MM; Najjari, A; Ouzari, HI; Souai, N, 2021)		1.22
" Our data showed that benzene (50 µM) induced a significant increase in cytotoxicity, ROS formation, mitochondrial membrane potential (MMP) collapse, lipid peroxidation and oxidative stress while LIN with antioxidant potential reversed the toxic effects of benzene on isolated human lymphocytes."( Linalool reverses benzene-induced cytotoxicity, oxidative stress and lysosomal/mitochondrial damages in human lymphocytes.
Baghal, E; Bohlooli, S; Hashemidanesh, N; Khodaparast, F; Rezagholizadeh, L; Salimi, A, 2022)		1.37
"Benzene is a typical hematopoietic toxic substance, that can cause serious blood and circulatory system diseases such as aplastic anemia, myelodysplastic syndrome and acute myeloid leukemia, but the immunological mechanism by which this occurs is not clear."( Immunosuppression characterized by increased Treg cell and IL-10 levels in benzene-induced hematopoietic toxicity mouse model.
Huang, J; Liang, G; Pu, Y; Sun, R; Wang, T; Xu, K; Yin, L; Yu, L; Zhang, J, 2021)		2.29
" Upon exploring the underlying mechanism by which lincRNA-p21 mediates benzene-induced hematotoxicity, we observed that the negative regulation of 1,4-benzoquinone (1,4-BQ) on cell cycle arrest and inhibition of K562 cell proliferation was partially relieved by lincRNA-p21 knockdown, which can inhibit the expression of P21 and thereby suppress the toxic effects of 1,4-BQ."( LincRNA-p21 promotes p21-mediated cell cycle arrest in benzene-induced hematotoxicity by sponging miRNA-17-5p.
Li, X; Pu, Y; Sun, R; Wang, B; Wang, T; Xu, K; Xu, S; Yin, L; Zhang, J, 2022)		1.2
" However, due to a diversity of human activities such as traffic, various toxic pollutants can be deposited on road surfaces during dry periods and washed off during wet periods, threatening stormwater reuse safety."( Characterizing polycyclic aromatic hydrocarbons on road dusts in Shenzhen, China: implications for road stormwater reuse safety.
Guo, Z; He, B; Liu, A; Ning, Y; Niu, S; Xiao, K; Zhang, J, 2023)		0.91
"Impairment of the hematopoietic system is one of the primary adverse health effects from exposure to benzene."( Nonlinear low dose hematotoxicity of benzene; a pooled analyses of two studies among Chinese exposed workers.
Hayes, RB; Lan, Q; Li, G; Linet, MS; Portengen, L; Qu, Q; Rappaport, SM; Rothman, N; Smith, MT; Sungkyoon, K; Vermeulen, R; Vlaanderen, J; Yin, S; Zhang, L, 2023)		1.4
" Modulation of intestinal homeostasis by probiotic supplementation has been considered an effective strategy to prevent adverse health effects."( Probiotics ameliorate benzene-induced systemic inflammation and hematopoietic toxicity by inhibiting Bacteroidaceae-mediated ferroptosis.
Gao, A; Han, L; Jing, J; Kang, H; Liu, Z; Wang, J; Zhang, L; Zhang, W, 2023)		1.22

Pharmacokinetics

A physiologically based pharmacokinetic model was developed and used to describe the pharmacokinetics of benzene in three species: mice, rats, and humans. The model quantifies tissue doses of Benzene and its key metabolites, benzene oxide, phenol, and hydroquinone after inhalation and oral exposures.

ExcerptReferenceRelevance
"There has been an increasing interest in physiologically based pharmacokinetic (PBPK) models in the area of risk assessment."( Structure and parameterization of pharmacokinetic models: their impact on model predictions.
Auslander, D; Bois, FY; Spear, RC; Woodruff, TJ, 1992)		0.28
"A new physiological pharmacokinetic model was used to explore the effect of exposure rate on the rate of formation of several crucial metabolites of benzene."( An analysis of exposure rate effects for benzene using a physiologically based pharmacokinetic model.
Bois, FY; Paxman, DG, 1992)		0.75
"Typically, the uncertainty affecting the parameters of physiologically based pharmacokinetic (PBPK) models is ignored because it is not currently practical to adjust their values using classical parameter estimation techniques."( Modeling benzene pharmacokinetics across three sets of animal data: parametric sensitivity and risk implications.
Auslander, D; Bois, FY; Parker, J; Selvin, S; Spear, RC; Woodruff, T, 1991)		0.7
"A physiological pharmacokinetic model for benzene, incorporating metabolic transformations, is used to explore why benzene, but not phenol--its primary metabolite--is carcinogenic at many sites in rats."( Mechanisms of benzene carcinogenesis: application of a physiological model of benzene pharmacokinetics and metabolism.
Bois, FY; Smith, MT; Spear, RC, 1991)		0.91
"A physiologically based pharmacokinetic model was developed and used to describe the pharmacokinetics of benzene in three species: mice, rats, and humans."( Pharmacokinetics of benzene.
Arms, AD; Quillen, JL; Travis, CC, 1990)		0.82
" Derived Michaelis-Menton constants were used to convert the doses of combined metabolites from the pharmacokinetic studies to the doses used in the bioassays."( Pharmacokinetically based risk assessment of workplace exposure to benzene.
Beliles, RP; Totman, LC, 1989)		0.51
"A physiologically based pharmacokinetic (PBPK) model was developed to describe the disposition of benzene in 3- and 18-month C57BL/6N mice and to examine the relevant physiologic and/or biochemical parameters governing previously observed age-related changes in the disposition of benzene."( Age-related changes in benzene disposition in male C57BL/6N mice described by a physiologically based pharmacokinetic model.
Birnbaum, LS; McMahon, TF; Medinsky, MA, 1994)		0.82
" A pharmacokinetic interaction between PH and HQ is also hypothesized to contribute to the observation."( Pharmacokinetic interaction between benzene metabolites, phenol and hydroquinone, in B6C3F1 mice.
Hoener, BA; Legathe, A; Tozer, TN, 1994)		0.56
"Physiologically based pharmacokinetic (PBPK) models are now commonly used to predict the dose of toxic metabolites of chemical substances reaching target tissues."( Uncertainty, variability, and sensitivity analysis in physiological pharmacokinetic models.
Bartlett, S; Krewski, D; Krishnan, K; Wang, Y, 1995)		0.29
" A physiologically-based pharmacokinetic model was fitted independently to rat and human benzene disposition data."( Interspecies extrapolation of physiological pharmacokinetic parameter distributions.
Bois, FY; Watanabe, KH, 1996)		0.52
" However, the majority of current physiologically based pharmacokinetic (PBPK) models do not take into account the uncertainty and/or variability within the various model parameters."( Incorporating Monte Carlo simulation into physiologically based pharmacokinetic models using advanced continuous simulation language (ACSL): a computational method.
Constan, AA; Keefe, TJ; Lytle, WE; Thomas, RS; Yang, RS, 1996)		0.29
"Using physiologically-based pharmacokinetic (PBPK) modeling, occupational, personal, and environmental benzene exposure scenarios are simulated for adult men and women."( A pharmacokinetic study of occupational and environmental benzene exposure with regard to gender.
Brown, EA; Fisher, JW; Shelley, ML, 1998)		0.76
"Reconstruction of human exposure to toxic chemicals using physiologically based pharmacokinetic (PBPK) models and biomarkers is an attractive prospect, because biomarker measurements generally provide the most direct evidence of dose."( Reconstructing week-long exposures to volatile organic compounds using physiologically based pharmacokinetic models.
Georgopoulos, PG; Roy, A, )		0.13
"A pharmacokinetic model for benzene has been developed and validated for the inhalation aspects of its operation."( Structure and validation of a pharmacokinetic model for benzene.
Gray, CN; Sherwood, RJ; Sinclair, GC, )		0.67
" We developed a physiologically based pharmacokinetic model for the uptake and elimination of benzene in mice to relate the concentration of inhaled and orally administered benzene to the tissue doses of benzene and its key metabolites, benzene oxide, phe nol, and hydroquinone."( Physiologically based pharmacokinetic modeling of benzene metabolism in mice through extrapolation from in vitro to in vivo.
Cole, CE; Schlosser, PM; Tran, HT, 2001)		0.78
"A dynamic generating toxic gas system and a nose-only exposure system were used for the pharmacokinetic study of inhaled environmental contaminants for benzene, toluene, xylene, ethylbenzene, chlorobenzene, styrene, isopropyl benzene, tetrachloroethylene, nonane and methylcyclohexane in male guinea pig."( [Study on the absorption of environmental contaminants in low-level exposure by pharmacokinetic analysis].
Cui, J; Hao, S; Li, G; Yin, S, 2000)		0.51
" This group of predominantly volatile and lipophilic chemicals was selected on the basis that their kinetics have been well-studied and can be predicted in mice, rats, and humans using physiologically based pharmacokinetic (PBPK) models."( Assessing the dose-dependency of allometric scaling performance using physiologically based pharmacokinetic modeling.
Gargas, ML; Kirman, CR; Meek, ME; Sweeney, LM, 2003)		0.32
" Here, we describe a human physiologically-based pharmacokinetic (PBPK) model that quantifies tissue doses of benzene and its key metabolites, benzene oxide, phenol, and hydroquinone after inhalation and oral exposures."( Physiologically-based pharmacokinetic modeling of benzene in humans: a Bayesian approach.
Pekari, K; Rappaport, S; Riihimaki, V; Rothman, N; Schlosser, PM; Tran, HT; Waidyanatha, S; Yokley, K, 2006)		0.8
" The magnitude of the PK component of the interindividual variability factor (IVF; also referred to as human kinetic adjustment factor (HKAF)) has previously been estimated using Monte Carlo approaches and physiologically based pharmacokinetic (PBPK) models."( Estimation of interindividual pharmacokinetic variability factor for inhaled volatile organic chemicals using a probability-bounds approach.
Krishnan, K; Nong, A, 2007)		0.34
" The most promising compounds of this study show enhanced IC 50 values in the low nanomolar range, a high selectivity toward 17beta-HSD2, a low binding affinity to ERalpha, a good metabolic stability in rat liver microsomes, and a reasonable pharmacokinetic profile after peroral application."( Design, synthesis, biological evaluation and pharmacokinetics of bis(hydroxyphenyl) substituted azoles, thiophenes, benzenes, and aza-benzenes as potent and selective nonsteroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1).
Al-Soud, YA; Bey, E; Birk, B; Frotscher, M; Hartmann, RW; Kruchten, P; Marchais-Oberwinkler, S; Negri, M; Oster, A; Werth, R, 2008)		0.56
" We developed a physiologically based pharmacokinetic model for the uptake and elimination of benzene in mice to relate the concentration of inhaled and orally administered benzene to the tissue doses of benzene and its key metabolites."( A multicompartment liver-based pharmacokinetic model for benzene and its metabolites in mice.
Manning, CC; Schlosser, PM; Tran, HT, 2010)		0.83
"The pharmacokinetic profile, tolerability and efficacy of benzene-poly-carboxylic acids complex with cis-diammineplatinum (II) dichloride (BP-C1) were studied in dogs with mammary cancer."( Tolerability and pharmacokinetic profile of a novel benzene-poly-carboxylic acids complex with cis-diammineplatinum (II) dichloride in dogs with malignant mammary tumours.
Berlinger, B; Dewi, S; Horsberg, TE; Jonasdottir, TJ; Kristiansen, VM; Larsen, S; Lindkaer-Jensen, S; Moe, L, 2017)		0.95
" Physiologically based pharmacokinetic models for adults (AD), neonates (NEO), toddlers (TODD), and pregnant women (PW) were used to simulate inhalation exposure to "low" (RfC-like) or "high" (AEGL-like) air concentrations of benzene (Bz) or dichloromethane (DCM), along with various levels of toluene alone or toluene with ethylbenzene and xylene."( Assessing human variability in kinetics for exposures to multiple environmental chemicals: a physiologically based pharmacokinetic modeling case study with dichloromethane, benzene, toluene, ethylbenzene, and m-xylene.
Haddad, S; Valcke, M, 2015)		0.79

Compound-Compound Interactions

ExcerptReferenceRelevance
" The high frequency noise of the system can be checked out by principal component combined with the correlation coefficient."( [Adopting the method of principal components analysis combined with correlation coefficient to increase the predicted concentration's accuracy of benzene and its homology mixture].
Wu, ZC; Xu, XX; Yang, RJ; Yu, G; Zhang, CZ, 2004)		0.52
"Five different orientations of the acetylene-benzene dimer including the T-shaped global minimum structure are used to assess the accuracy of the density functional theory combined with symmetry adapted perturbation theory (DFT-SAPT) approach in its density-fitting implementation (DF-DFT-SAPT) for the study of CH-pi and pi-pi interactions."( How accurate is the density functional theory combined with symmetry-adapted perturbation theory approach for CH-pi and pi-pi interactions? A comparison to supermolecular calculations for the acetylene-benzene dimer.
Jansen, G; Tekin, A, 2007)		0.79
", catechol, resorcinol, hydroquinone, and pyrogallol, was studied by ESR spin trapping combined with the UV-A photolysis of hydrogen peroxide."( Estimation of relative reaction rate of hydroxy radical with poly-hydroxy benzenes: ESR spin trapping combined with UV-A photolysis.
Nakagawa, S, 2013)		0.62
"We developed a perturbation approach to compute solvation free energy Δμ within the framework of QM (quantum mechanical)/MM (molecular mechanical) method combined with a theory of energy representation (QM/MM-ER)."( Computation of the free energy due to electron density fluctuation of a solute in solution: a QM/MM method with perturbation approach combined with a theory of solutions.
Morita, A; Suzuoka, D; Takahashi, H, 2014)		0.4
"In this study, chitosan-zinc oxide nanoparticles were used as a sorbent of miniaturized matrix solid-phase dispersion combined with flotation-assisted dispersive liquid-liquid microextraction for the simultaneous determination of 13 n-alkanes such as C8 H18 and C20 H42 in soil samples."( Matrix solid-phase dispersion with chitosan-zinc oxide nanoparticles combined with flotation-assisted dispersive liquid-liquid microextraction for the determination of 13 n-alkanes in soil samples.
Arefnejad, E; Bohlooli, M; Khajeh, M; Yan, H, 2014)		0.4

Bioavailability

The sorption/desorption behaviors of benzene, toluene, ethylbenzene, and xylene (BTEX) on soil organic matter (SOM) have a significant influence on their fate and bioavailability in soil. The aim of this work was to explore the effect of lowering pH and application of surfactants (Brij 35, Tween 20 and Saponin) in increasing bioavailability.

ExcerptReferenceRelevance
" The mutagenic activity was evident only after a vigorous extraction process, thus a low bioavailability of the mutagens present in these compounds is suggested."( Mutagenic activity of carbon black dyes used in the leather industry.
Clonfero, E; Levis, AG; Tecchio, G; Venier, P, 1987)		0.27
" These data call attention to the fact that the absorption rate is higher before steady state is attained."( The in vitro permeability of human skin to benzene, ethylene glycol, formaldehyde, and n-hexane.
Lodén, M, 1986)		0.53
" Our results suggest that increasing the bioavailability of Fe(III) by adding suitable ligands provides a potential alternative to oxygen addition for the bioremediation of petroleum-contaminated aquifers."( Stimulated anoxic biodegradation of aromatic hydrocarbons using Fe(III) ligands.
Chapelle, FH; Lovley, DR; Woodward, JC, 1994)		0.29
" Bioreactivity of GHQ with cellular macromolecules in vitro and inhibition of mitotic index of bone marrow on in vivo exposure have relevance to benzene toxicity, although in situ generation of GHQ at the site of action appears critical in bringing about hematological and chromosomal effects that were probably spared due to rapid metabolic disposition and, consequently, poor bioavailability of intraperitoneally administered GHQ."( Bioreactivity of glutathionyl hydroquinone with implications to benzene toxicity.
Agrawal, DK; Agrawal, R; Ahmad, S; Rao, GS, 2000)		0.75
"Luminescent biosensors were able to monitor changes in contaminant toxicity and bioavailability in aqueous extracts from BTEX-impacted soils as degradation proceeded."( Application of luminescent biosensors for monitoring the degradation and toxicity of BTEX compounds in soils.
Dawson, JJ; Iroegbu, CO; Maciel, H; Paton, GI, 2008)		0.35
" While, chemical analysis showed biodegradation of parent BTEX compounds in biologically active soils, the biosensor assays reported on changes in bioavailability and potentially toxic intermediate fractions as they estimated the integrative effect of contaminants."( Application of luminescent biosensors for monitoring the degradation and toxicity of BTEX compounds in soils.
Dawson, JJ; Iroegbu, CO; Maciel, H; Paton, GI, 2008)		0.35
" These inverse relationships may reflect a slower rate of absorption or a faster rate of expiration of benzene in the lung."( Detection of DNA damage in workers exposed to JP-8 jet fuel.
B'hymer, C; Butler, MA; Clark, JC; Gibson, RL; Krieg, EF; Marlow, KL; Mathias, PI; Singh, NP; Toennis, CA, 2012)		0.59
"The sorption/desorption behaviors of benzene, toluene, ethylbenzene, and xylene (BTEX) on soil organic matter (SOM) have a significant influence on their fate and bioavailability in soil."( Characteristic and mechanism of sorption and desorption of benzene on humic acid.
Li, Y; Liu, D; Tang, M; Tang, Y; Tang, Z; Yang, S; Yang, Z, 2019)		1.03
" Traditionally, these waters are only characterized and classified by their inorganic composition; however, the bioavailability of the majority of these inorganic compounds is limited."( Finding possible pharmacological effects of identified organic compounds in medicinal waters (BTEX and phenolic compounds).
Szabó, I; Varga, C, 2020)		0.56
"The aim of this work was to explore the effect of lowering pH and application of surfactants (Brij 35, Tween 20 and Saponin) in increasing bioavailability and biodegradability of benzene and o-xylene (BX) as two hydrophobic VOCs in a liquid mixture."( Effect of surfactants at natural and acidic pH on microbial activity and biodegradation of mixture of benzene and o-xylene.
Ghobadi, J; Jones, KD; Khoramfar, S; Taheri, P, 2020)		0.97
" However, the bioavailability of IBG is not optimal due to its finite aqueous solubility, thus hampering its potential therapeutic exploitation."( Enhancement of the oral bioavailability of isopropoxy benzene guanidine though complexation with hydroxypropyl-β-cyclodextrin.
Lu, Y; Peng, X; Qin, Z; Xie, S; Yang, L; Zeng, D; Zeng, Z; Zhang, W; Zhao, F, 2022)		0.97
" Microplastics exist widely in the environment, and their sorption allows them to act as carriers of HPAHs, potentially changing the bioavailability of HPAHs."( Effects of microplastic sorption on microbial degradation of halogenated polycyclic aromatic hydrocarbons in water.
Ni, HG; Ren, SY; Sun, Q, 2022)		0.72
" The bioavailability of all studied compounds is confirmed by pharmacological investigations using Mol inspiration and absorption, distribution, metabolism, excretion, and toxicity online servers."( Computational and Molecular Docking Studies of New Benzene Sulfonamide Drugs with Anticancer and Antioxidant Effects.
Abdelgawad, MA; Ahmed, OM; Ahmed, SA; Ghoneim, MM; Hamza, ZS; Hegab, M; Mohamed, HS; Nagdy, AM, 2023)		1.16
" In addition, the bioavailability analysis results demonstrated that the water- and butanol-extractable BaP increased with elevated temperatures."( Thermally enhanced biodegradation of benzo[a]pyrene and benzene co-contaminated soil: Bioavailability and generation of ROS.
Ali, M; Chen, X; Liu, X; Song, X; Tang, Z; Wang, Q; Zhang, M; Zhang, Z, 2023)		1.16

Dosage Studied

The dose-response relationship of the benzene covalent interaction with biological macromolecules from rat organs was studied. The implication of a dose-rate study of benzene metabolism for risk assessment is discussed. Suggestions for better characterization of the dose- response function for benzene are provided.

ExcerptRelevanceReference
" Evolution of (14)CO(2) from active versus poisoned soil dosed with 50 mug of the individual TCBs per g gave conclusive proof that both isomers are biodegradable."( Biodegradation of 1,2,3- and 1,2,4-trichlorobenzene in soil and in liquid enrichment culture.
Bartha, R; Marinucci, AC, 1979)		0.52
" 4) The experiment with dosage fractionation method showed that the more strongly benzene could inhibit the rejoining of radiation-induced chromosome breaks, the higher concentration it was treated at."( Analysis of combined effects of benzene with radiation on chromosomes in cultured human leukocytes.
Morimoto, K, 1976)		0.76
"A colorimetric method for direct quantitative assay of methadone hydrochloride in liquid oral dosage forms is presented."( Determination of methadone hydrochloride in a maintenance dosage formulation.
Hoffmann, TJ; Thompson, RD, 1975)		0.25
" An important finding is that refitting the linearized multistage (LMS) model family to internal doses and observed responses changes the maximum-likelihood estimate (MLE) dose-response curve for mice from linear-quadratic to cubic, leading to low-dose risk estimates smaller than in previous risk assessments."( Reassessing benzene cancer risks using internal doses.
Cox, LA; Ricci, PF, 1992)		0.66
" Comparison of the slopes of the dose-response curves showed that hydroquinone was 7-9 times more effective than 1,2,4,-benzenetriol and catechol at inducing DNA adducts."( Potentiation of DNA adduct formation in HL-60 cells by combinations of benzene metabolites.
Bodell, WJ; Lévay, G, 1992)		0.72
" A dose-response relationship between benzene levels and damage in target cells (valid from 1 to more than 900 ppm) was derived that was linear for doses up to 300 ppm and plateaued thereafter."( Hematotoxic effects of benzene analyzed by mathematical modeling.
Loeffler, M; Scheding, S; Schmitz, S; Seidel, HJ; Wichmann, HE, 1992)		0.87
" Monkeys were dosed ip with 5, 50, or 500 mg [14C]benzene/kg body wt."( Metabolism of [14C]benzene by cynomolgus monkeys and chimpanzees.
Birnbaum, LS; Couch, RC; Henderson, RF; Lefler, D; Lucier, G; Muggenburg, BA; Sabourin, PJ, 1992)		0.87
" We were able to detect SPC in the hemoglobin of exposed rats and mice, to show the linearity of the exposure dose-response relationship, and to establish the sensitivity limits of this assay."( S-phenylcysteine formation in hemoglobin as a biological exposure index to benzene.
Bechtold, WE; Birnbaum, LS; Henderson, RF; Kasicki, S; Li, GL; Lucier, G; Sun, JD; Yin, SN, 1992)		0.51
" Its goals are: (i) to introduce the qualitative biological background needed for detailed quantitative dose-response modeling of benzene cancer risks; and (ii) to survey a rapidly evolving area of research that shows promise of producing fundamental insights into the mechanisms of toxicity and carcinogenesis for several chemicals--benzene and perhaps phenols, catechols, and other hydroxylated ring hydrocarbons--in the decade ahead."( Biological basis of chemical carcinogenesis: insights from benzene.
Cox, LA, 1991)		0.73
" Based on prior studies, the lack of a dose-response indicator from internal plutonium was not unexpected because of the small sample and the low frequency of aberrations induced at the lower plutonium burdens."( Sister chromatid exchanges and chromosome aberration frequencies in plutonium workers.
Bistline, RW; Bloom, AD; Brandom, WF; McGavran, L, 1990)		0.28
" In one study, we observed unusual dose-response in lymphocyte chromosome aberration frequencies after exposure of mice to low doses of a chemical mixture (benzene, chloroprene, epichlorohydrin, and xylene)."( Cytogenetic assays in genotoxic studies: somatic cell effects of benzene and germinal cell effects of dibromochloropropane.
Au, WW; Cantelli-Forti, G; Hrelia, P; Legator, MS, 1990)		0.71
"The dose-response relationship of the benzene covalent interaction with biological macromolecules from rat organs was studied."( Benzene adducts with rat nucleic acids and proteins: dose-response relationship after treatment in vivo.
Bartoli, S; Bonora, B; Colacci, A; Grilli, S; Lattanzi, G; Mazzullo, M; Niero, A; Parodi, S; Turina, MP, 1989)		1.99
" However, no conclusions on dose-response relationships can be drawn from these data because of the approximate evaluation of individual exposure and, especially, because the study group most probably consisted of a highly selected sample of the exposed population."( [A follow-up study of 304 cases of suspected pathology caused by benzene seen in 1950-71].
Bertazzi, PA; Biscaldi, GP; Catenacci, G; Guercilena, S; Pesatori, AC; Radice, L; Vai, T, )		0.37
" Using the results from 17-week studies, doses for the 2-year studies were selected based on clinical observations (tremors in higher dosed mice), on clinical pathologic findings (lymphoid depletion in rats and leukopenia in mice), and on body weight effects."( Multiple-site carcinogenicity of benzene in Fischer 344 rats and B6C3F1 mice.
Chrisp, CE; DeMarini, DM; Eustis, S; Haseman, JK; Huff, JE; Jacobs, AC; Maronpot, RR; Persing, RL; Peters, AC, 1989)		0.56
" Animal data can offer indications about what could happen in humans and provide more diverse information than epidemiological data with respect to dose-response consideration."( Results of animal studies suggest a nonlinear dose-response relationship for benzene effects.
Colacci, A; Grilli, S; Lutz, WK; Mazzullo, M; Parodi, S; Taningher, M, 1989)		0.51
" The primary difference between these risk assessments has been in the way in which benzene exposure has been estimated and in the models applied to describe the dose-response relationship."( Review and update of leukemia risk potentially associated with occupational exposure to benzene.
Brett, SM; Chinchilli, VM; Rodricks, JV, 1989)		0.72
" The dose-response relationship is strongly nonlinear."( Consistencies and inconsistencies underlying the quantitative assessment of leukemia risk from benzene exposure.
Byrd, DM; Grunwald, H; Lamm, SH; Walters, AS; Wilson, R, 1989)		0.5
" The Bologna experiments also indicated a clear-cut dose-response relationship in benzene carcinogenesis."( Benzene, an experimental multipotential carcinogen: results of the long-term bioassays performed at the Bologna Institute of Oncology.
Belpoggi, F; Ciliberti, A; Conti, B; Cotti, G; Maltoni, C, 1989)		1.95
" The implication of a dose-rate study of benzene metabolism for risk assessment is discussed, and finally, suggestions for better characterization of the dose-response function for benzene are provided."( Metabolite-based internal doses used in a risk assessment of benzene.
Bailer, AJ; Hoel, DG, 1989)		0.78
" We merged data on numbers of persons (238,000) exposed to benzene in seven occupational categories with dose-response data from three epidemiologic studies."( Quantitative assessment of lives lost due to delay in the regulation of occupational exposure to benzene.
Landrigan, PJ; Nicholson, WJ, 1989)		0.74
" Model simulations for PHC and PMA, generally considered to be detoxification metabolites, were similar in shape and dose-response to those for total metabolism."( Differences in the pathways for metabolism of benzene in rats and mice simulated by a physiological model.
Birnbaum, LS; Henderson, RF; Lucier, G; Medinsky, MA; Sabourin, PJ, 1989)		0.54
" Although developed to describe cancer data, the multistage model has a general sigmoidal shape which makes it amenable to describe the dose-response of many non-cancer endpoints."( Applicability of cancer risk assessment techniques to other toxic effects.
Gaylor, DW, 1988)		0.27
" Mathematical modelling of the system can provide a reasonably accurate representation of benzene behavior in the body, and should enable dosage to individual or groups of organs to be estimated after occupational exposure."( Pharmacokinetics of benzene in a human after exposure at about the permissible limit.
Sherwood, RJ, 1988)		0.82
" Most studies of benzene toxicity have involved dosing animals with benzene either by inhalation or by injection, using high doses to ensure a toxic response."( Chemical of current interest--benzene.
Marcus, WL, 1987)		0.9
" The uncertainty of the dose-response projections rests on the underlying estimates of relative risk of death from leukemia, the estimates of benzene exposure (dose), and the appropriateness of the mathematical model."( Projections of leukemia risk associated with occupational exposure to benzene.
Infante, PF; White, MC, 1985)		0.7
"This work is a graphical study of all known dose-response data for neoplasia induced by B(a)P, benzene, benzidine, and chromium administered to test animals."( Animal studies and prediction of human tumors can be aided by graphical sorting of animal data: neoplastic risk from B(a)P, benzene, benzidine, and chromium.
Jones, TD; Walsh, PJ, 1985)		0.69
" trans,trans-Muconic acid was identified and was unique to benzene as none was detected in urine of mice dosed orally with phenol, catechol or quinol (250, 150 and 200 mg/kg, respectively)."( trans,trans-Muconic acid, an open-chain urinary metabolite of benzene in mice. Quantification by high-pressure liquid chromatography.
Gad-El Karim, MM; Legator, MS; Ramanujam, VM, 1985)		0.75
"Benzene, with initial concentrations of 100 and 50 mg per liter, was dosed in duplicates into four compartments of a small pond."( Influence of benzene on the phytoplankton and on Daphnia pulex in compartments of an experimental pond.
Klein, W; Korte, F; Lay, JP; Peichl, L; Schauerte, W, 1985)		2.08
" a compound that yields a mercapturic acid when decomposed by acid, was isolated as a dicyclohexylammonium salt from the urine of rats and rabbits that had been dosed with bromobenzene."( Biochemical studies of toxic agents. The isolation of premercapturic acids from the urine of animals dosed with chlorobenzene and bromobenzene.
Gillham, B; Young, L, 1968)		0.65
" Dose-response curves in benzene-treated mice were much steeper with 3-MCA induction than without."( Modifications in the myeloclastogenic effect of benzene in mice with toluene, phenobarbital, 3-methylcholanthrene, Aroclor 1254 and SKF-525A.
Gad-El-Karim, MM; Harper, BL; Legator, MS, 1984)		0.83
" In spite of the evidence of a link between exposure to various chemicals and HD, there is a clear need to evaluate dose-response relationship between specific type and amount of chemicals and the disease, in order to provide some of the answer we need about the etiology of HD."( [Hodgkin's disease and occupation].
Fonte, R; Franco, G, )		0.13
"In a short-term (6 h/day X 6 days) benzene inhalation dose-response study, mitogen-induced blastogenesis of both B- and T-lymphocytes in male, C57Bl mice was observed to be significantly depressed at relatively low levels of benzene."( Depressions in B- and T-lymphocyte mitogen-induced blastogenesis in mice exposed to low concentrations of benzene.
Albert, RE; Rozen, MG; Snyder, CA, 1984)		0.76
"Repeated dosing of mice with benzene led to a dose-related decrease in red cell production as measured by the incorporation of 59Fe into developing erythrocytes."( Toxicological and biochemical effects of repeated administration of benzene in mice.
Kocsis, JJ; Lee, EW; Longacre, SL; Sammett, D; Snyder, R; Witmer, CM, 1981)		0.79
"Male and female rats of the Fischer Strain were dosed with 550 mg/kg of benzene or corn oil vehicle on Days 9, 11 and 13 postpartum."( Postnatal exposure to benzene alters the neurobehavioral functioning of rats when tested during adulthood.
Meyer, OA; Sparber, SB; Squibb, RE; Tilson, HA, 1980)		0.81
"This study shows a dose-response effect between personal exposure to benzene and urinary 8-OHdG concentration; further studies are needed to clarify the biological significance of 8-OHdG as a marker of cancer risk."( Exposure to benzene and urinary concentrations of 8-hydroxydeoxyguanosine, a biological marker of oxidative damage to DNA.
Axelson, O; Carere, A; Forastiere, F; Iavarone, I; Lagorio, S; Tagesson, C, 1994)		0.9
" 3 and 10 days and 1, 3 and 6 months) and a dose-response experiment."( A unique pattern of hepatocyte proliferation in F344 rats following long-term exposures to low levels of a chemical mixture of groundwater contaminants.
Baker, DC; Benjamin, SA; Constan, AA; Yang, RS, 1995)		0.29
"Benzene is recognized internationally as a leukemogen, but the available data to clarify dose-response relationships and examine risks of malignancies other than leukemia are sparse."( Cohort study among workers exposed to benzene in China: I. General methods and resources.
Chow, WH; Dosemeci, M; Hayes, RB; Jiang, ZL; Li, GL; Linet, MS; Wacholder, S; Wang, YZ; Yin, SN; Zhang, WU, 1994)		2
"The detailed work histories of the individual workers composing the Pliofilm cohort represent a unique resource for estimating the dose-response for leukemia that may follow occupational exposure to benzene."( Leukemia risk associated with benzene exposure in the pliofilm cohort. II. Risk estimates.
Brett, SM; Chinchilli, VM; Paxton, MB; Rodricks, JV, 1994)		0.77
" An in vitro system was used to measure impairment of SEA-induced lymphoproliferation and IL-2 production using splenocytes from female C57BL/6 mice dosed with either cyclosporin A (30 mg/kg/day, 14 days), benzene (220, 440, or 880 mg/kg/day, 14 days), or vehicle."( Use of staphylococcal enterotoxin A-induced lymphoproliferation and interleukin 2 production as indicators of immunotoxicity.
Gandolfi, AJ; Hastings, KL; Reid, LL; Van Ert, M, 1994)		0.48
" There was a significant excess of acute myelocytic or acute monocytic leukemia (AMML, the only forms of acute nonlymphatic leukemia observed) in this cohort, and this end point also exhibited a strong dose-response trend."( Risk of benzene-induced leukemia: a sensitivity analysis of the pliofilm cohort with additional follow-up and new exposure estimates.
Crump, KS, 1994)		0.72
" For liquid permeation experiments, neat chemicals were dosed directly on the surface of the skin."( An in vitro comparison of the permeation of chemicals in vapor and liquid phase through pig skin.
Jacobs, RR; Phanprasit, W, 1993)		0.29
" There is need to better define the lower end of the dose-response curve for benzene as a human leukemogen."( The toxicology of benzene.
Goldstein, BD; Snyder, R; Witz, G, 1993)		0.85
" The analysis of Hb adducts of BO from rats dosed with 50-400 mg/kg [13C6]benzene via this method resulted in values which were generally consistent, though slightly lower, than those obtained using an established method."( Analysis of hemoglobin adducts of benzene oxide by gas chromatography-mass spectrometry.
McDonald, TA; Rappaport, SM; Yeowell-O'Connell, K, 1996)		0.8
" Exposure odds ratios were statistically elevated for five of these agents; dose-response evaluations for two of the agents, ethylene oxide and benzene, failed to provide additional support for a causal relationship."( Investigation of a cluster of ten cases of Hodgkin's disease in an occupational setting.
Arends, JW; Kusters, E; Ott, MG; Slangen, JM; Swaen, GM; Van Den Langenbergh, G; Zober, A, 1996)		0.49
" 14C-NO-1886 was dosed orally to rats (3 mg/kg) and within 24 h after dosing, 27."( Metabolism of diethyl 4-[(4-bromo-2-cyanophenyl)-carbamoyl]benzylphosphonate in the rat.
Goto, K; Harada, M; Morioka, Y; Naito, S; Ohmizo, M; Tsutsumi, K, 1996)		0.29
" The animals were lightly anesthetized and blood was collected by puncture of the retro-orbital plexus before the first administration of the solvents on d 7, 14, 21 and 35 of dosing, and 14 d after dosing was discontinued."( Hematological alterations in rats from xylene and benzene.
Barros, HM; d'Azevedo, PA; Tannhauser, M; Tannhauser, SL, 1996)		0.55
" A dose-response relationship was observed in the extent of outer hair cell shortening produced by toluene with a significant shortening observed at concentrations of 100 microM and higher."( Toluene disrupts outer hair cell morphometry and intracellular calcium homeostasis in cochlear cells of guinea pigs.
Fechter, LD; Liu, Y, 1997)		0.3
" This suggests that the dose-response curve is nonlinear; that potential different metabolic mechanisms exist at high and low doses; and that the validity of a linear extrapolation of adverse effects measured at high doses to a population exposed to lower, environmental levels of benzene is uncertain."( Biomarkers of environmental benzene exposure.
Georgopoulos, P; Roy, A; Weisel, C; Yu, R, 1996)		0.77
" We used adducts of hemoglobin (Hb) and bone marrow proteins to study the disposition of three benzene and metabolites (benzene oxide [BO], 1,2-benzoquinone [1,2-BQ], and 1,4-benzoquinone [1,4-BQ]) in F344 rats and B6C3F1 mice following a single oral dosage of [13C6]benzene and/or [14C]benzene."( The use of protein adducts to investigate the disposition of reactive metabolites of benzene.
McDonald, TA; Rappaport, SM; Yeowell-O'Connell, K, 1996)		0.74
" Mortality data from 27 experiments with 851 dose-response groups, in which doses were protracted by rate and/or fractionation, were used to simultaneously estimate all rate constants by maximum-likelihood methods."( Modeling marrow damage from response data: evolution from radiation biology to benzene toxicity.
Hasan, JS; Jones, DT; Morris, MD, 1996)		0.52
" Cytogenetic analysis performed 45 hr after in vivo oral dosing with benzene revealed chromosome damage that occurred as a result of acute, subchronic, and chronic dosing."( Benzene induces a dose-responsive increase in the frequency of micronucleated cells in rat Zymbal glands.
Angelosanto, FA; Blackburn, GR; Mackerer, CR; Schreiner, CA, 1996)		1.97
" LACA mice were dosed ip with benzene at 500 mg/kg bw twice for 5 days."( Tissue distribution of DNA adducts and their persistence in blood of mice exposed to benzene.
Li, G; Wang, C; Xin, W; Yin, S, 1996)		0.81
" Refitting the multistage model family to internal doses changes the maximum-likelihood estimate (MLE) dose-response curve for mice from linear-quadratic to purely cubic, so that low-dose risk estimates are smaller than in previous risk assessments."( Reassessing benzene risks using internal doses and Monte-Carlo uncertainty analysis.
Cox, LA, 1996)		0.67
" Neither the Paustenbach nor the Crump exposures gave dose-response estimates as steep as that resulting from the Rinsky exposures."( Leukemia risk associated with benzene exposure in the Pliofilm cohort.
Paxton, MB, 1996)		0.58
"61 expected) in this cohort, and this end point also exhibited a strong dose-response trend."( Risk of benzene-induced leukemia predicted from the Pliofilm cohort.
Crump, KS, 1996)		0.73
"Although it is generally assumed that metabolism of benzene proceeds through an initial step involving oxidation to benzene oxide (BO) by CYP450 in the liver, the production of BO has never been unambiguously confirmed in animals dosed with benzene."( Measurement of benzene oxide in the blood of rats following administration of benzene.
Golding, BT; Lindstrom, AB; Rappaport, SM; Tornero-Velez, R; Waidyanatha, S; Yeowell-O'Connell, K, 1997)		0.9
"The tissue distribution and macromolecular binding of benzene was studied over a dose range spanning nine-orders of magnitude to determine the nature of the dose-response and to establish benzene's internal dosimetry at doses encompassing human environmental exposures."( Tissue distribution and macromolecular binding of extremely low doses of [14C]-benzene in B6C3F1 mice.
Creek, MR; Mani, C; Turteltaub, KW; Vogel, JS, 1997)		0.77
" To examine dose-response relationships the workers were divided into two groups at the median exposure level, a lower-exposed group (< or = 31 ppm; n = 21), and a higher-exposed group (> 31 ppm; n = 22)."( Increased translocations and aneusomy in chromosomes 8 and 21 among workers exposed to benzene.
Dosemeci, M; Hayes, RB; Kolachana, P; Li, G; Rothman, N; Smith, MT; Titenko-Holland, N; Wang, Y; Wiemels, J; Xi, L; Yin, S; Zhang, L, 1998)		0.52
" Using a therapeutic dosing regimen, this compound inhibited hind paw inflammation (>70%) and arthogram scores in rats with adjuvant-induced arthritis."( Pharmacological evaluation of 1-(carboxymethyl)-3,5-diphenyl-2-methylbenzene, a novel arylacetic acid with potential anti-inflammatory properties.
Akin, DT; Cutler, SJ; DeWitt Blanton, C; Lott, JA; May, SW; Moore, AB; Pollock, SH; Price, TC; Steinberg, FB, 1998)		0.53
" This assay was employed to quantitate mono-S-substituted background adducts in human and rat Hb and Alb and benzene-specific adducts in Hb and Alb from F344 rats following a single oral dosage of 50-400 mg [13C6]benzene/kg body wt."( A new assay for albumin and hemoglobin adducts of 1,2- and 1,4-benzoquinones.
Rappaport, SM; Waidyanatha, S; Yeowell-O'Connell, K, 1998)		0.51
"Risk estimates and cause and effect determinations are directly dependent on exposure and dose-response relationships."( An evaluation of modeled benzene exposure and dose estimates published in the Chinese-National Cancer Institute collaborative epidemiology studies.
Budinsky, RA; DeMott, RP; Schell, JD; Wernke, MJ, 1999)		0.61
" Dosage of benzene in expired air, in urine, or in blood give a very good estimation of the exposure to benzene but they are not test largely practicable today, because analytical, economical, organizational reasons."( [Guidelines for assessment and management of risks caused by benzene for workers at gas stations].
Apostoli, P; Betta, A; Brugnone, F; Maranelli, G; Marchiori, L; Perbellini, L; Romeo, L; Verga, V, )		0.76
" Neither orally dosed Tg."( Pharmacokinetic studies in Tg.AC and FVB mice administered [14C] benzene either by oral gavage or intradermal injection.
Hoffmann, MJ; Lee, YH; Meeker, RJ; Sinko, PJ; Snyder, R, 2001)		0.55
" These data demonstrate the dose-response relationship between SA administration and t,t-MA excretion."( Effect of sorbic acid administration on urinary trans,trans-muconic acid excretion in rats exposed to low levels of benzene.
Coccini, T; Maestri, L; Manzo, L; Marrubini, G, 2002)		0.52
" A dose-response study was then conducted using 14C-benzene doses from 5 ng/kg to 500 mg/kg body weight in B6C3F1 mice."( Benzene metabolism in rodents at doses relevant to human exposure from urban air.
Mani, C; Turteltaub, KW, 2003)		2.01
" Dose-response relations were detected between benzene air levels, t,t-MA, S-PMA and DNA-SSB in petrochemical workers, with significantly increased levels of DNA-SSB detected for benzene exposure levels in the range 391-1,800 micrograms/m3 (0."( [European multicenter cross-sectional study on exposure to low doses of benzene].
Bertazzi, PA; Bolognesi, C; Buratti, M; Colombi, A; Consonni, D; Farmer, P; Fustinoni, S; Garte, S; Levy, L; Merlo, F; Pesatori, AC; Popov, T; Taioli, E; Valerio, F, )		0.62
"75 for dose-response assessments in which toxicity is attributed to the formation of a reactive metabolite from an inhaled compound."( Assessing the dose-dependency of allometric scaling performance using physiologically based pharmacokinetic modeling.
Gargas, ML; Kirman, CR; Meek, ME; Sweeney, LM, 2003)		0.32
"In low and high dosage groups, the rate of DNA migration of bone marrow cells (83."( [DNA damage and changes of antioxidative enzymes in chronic benzene poisoning mice].
Na, LX; Pan, HZ; Tao, L, 2003)		0.56
"002) under the dosage conditions producing neoplasia in the rodent bioassays, and this method would have detected adducts at 1/10,000th the levels reported in the DNA-binding studies."( Genotoxicity of benzene and its metabolites.
Lax, EA; Mohan, M; Reddy, MV; Ross, PM; Whysner, J, 2004)		0.67
" Endpoint specific dose-response models were built for the hydrocarbon mixture under an assumption of dose-additivity, using the single chemical dose-response information on benzene and toluene."( The interaction effects of binary mixtures of benzene and toluene on the developing heart of medaka (Oryzias latipes).
Carter, H; Cubbison, C; Gennings, C; Hartley, WR; Schoeny, R; Teuschler, LK; Thiyagarajah, A, 2005)		0.78
" Commercially available authentic standards of the identified compounds were tested in dose-response studies on hamster oviducts."( Phenols, quinolines, indoles, benzene, and 2-cyclopenten-1-ones are oviductal toxicants in cigarette smoke.
Riveles, K; Roza, R; Talbot, P, 2005)		0.62
"To investigate the effect of benzene exposure on DNA damage of the peripheral white blood cells and to assess the possible dose-response relationship between benzene and DNA damage."( [Detection of DNA damages of peripheral white blood cells in benzene-exposed workers].
Gao, Y; Ji, ZY; Li, GL; Xing, CH, 2005)		0.86
"0001, respectively) and showed a dose-response relationship with benzene concentration."( [Detection of DNA damages of peripheral white blood cells in benzene-exposed workers].
Gao, Y; Ji, ZY; Li, GL; Xing, CH, 2005)		0.81
"Benzene exposure resulted in an increase of DNA damage of the peripheral white blood cell, which was in a dose-response relationship manner; cumulative dose was better than simply concentration to reflect benzene exposure."( [Detection of DNA damages of peripheral white blood cells in benzene-exposed workers].
Gao, Y; Ji, ZY; Li, GL; Xing, CH, 2005)		2.01
" The aim of this study was to explore the dose-response relationship between COE exposure and COPD and to assess the interaction with cigarette smoking."( Increased risk of chronic obstructive pulmonary diseases in coke oven workers: interaction between occupational exposure and smoking.
Chen, B; Hu, Y; Jia, L; Jin, T; Yin, Z; Zhou, Y, 2006)		0.33
" The determination of total SPMA allows the standardization of the preanalyticalfactors and the dosage with analytical methods less sensitive than HPLC/MS/MS."( [Determination of free and total S-phenylmercapturic acid in the biologic monitoring of exposure to benzene].
Cialdella, A; Faranda, P; Paci, E; Pigini, D; Tranfo, G, )		0.35
" For all donors included in the present study, BT produced a significant dose-response relationship."( Analysis of glutathione and vitamin C effects on the benzenetriol-induced DNA damage in isolated human lymphocytes.
Creus, A; Marcos, R; Pitarque, M, 2006)		0.58
"To compare the dose-response relationships for two common measures of coal tar-derived substances, benzene-soluble material (BSM) and benzo(a)pyrene (BaP), and to evaluate which among these is more strongly related to the health outcomes."( Comparison of two indices of exposure to polycyclic aromatic hydrocarbons in a retrospective aluminium smelter cohort.
Demers, PA; Friesen, MC; Le, ND; Lorenzi, MF; Spinelli, JJ, 2007)		0.56
" The shape, magnitude and precision of the dose-response relationships and cumulative exposure levels for BSM and BaP were evaluated."( Comparison of two indices of exposure to polycyclic aromatic hydrocarbons in a retrospective aluminium smelter cohort.
Demers, PA; Friesen, MC; Le, ND; Lorenzi, MF; Spinelli, JJ, 2007)		0.34
" The log-log dose-response models, where risk of disease plateaus at high exposure levels, were the best-fitting models for lung cancer and AMI."( Comparison of two indices of exposure to polycyclic aromatic hydrocarbons in a retrospective aluminium smelter cohort.
Demers, PA; Friesen, MC; Le, ND; Lorenzi, MF; Spinelli, JJ, 2007)		0.34
" Chronic oral dosing of compound 9 in high-fat fed mice lowered plasma cholesterol, triglyceride, and glucose, as well as inhibited weight gain."( 2-hydroxy-N-arylbenzenesulfonamides as ATP-citrate lyase inhibitors.
Biller, S; Chen, B; Chen, L; Cheng, D; Chu, CH; Flynn, N; Harrity, T; Herpin, TF; Jamil, H; Lawrence, RM; Li, JJ; Obermeier, MT; Padmanabha, R; Pike, K; Ponticiello, R; Robl, JA; Sasseville, V; Schnur, D; Tino, JA; Wang, H; Zhao, R, 2007)		0.69
" The results suggest that risks among these nuclear workers are comparable to those observed in high-dose populations, although no evidence was observed of a positive quadratic dose-response term in this study."( Risk of chronic myeloid and acute leukemia mortality after exposure to ionizing radiation among workers at four U.S. nuclear weapons facilities and a nuclear naval shipyard.
Ahrenholz, SH; Anderson, JL; Burphy, JS; Couch, JR; Daniels, RD; Fleming, DA; Markey, AM; Schubauer-Berigan, MK; Tseng, CY, 2007)		0.34
"Swiss Albino (Rat rattus norvegicus) rats were intraperitoneally injected with a 100 mg kg(-1) dosage of benzene, a toxic and carcinogenic agent widely used for industrial purposes."( The effect of benzene on the activity of adenosine deaminase in tissues of rats.
Dere, E; Turhan, A, 2007)		0.91
" It displays a good pharmacokinetic profile when dosed in rats and no covalent binding with microsomal proteins in both in vitro and in vivo models."( Dihydroxypyridopyrazine-1,6-dione HIV-1 integrase inhibitors.
Chen, IW; Culberson, C; Ellis, JD; Embrey, MW; Felock, PJ; Fisher, TE; Gabryelski, LJ; Hazuda, DJ; Jin, L; Kim, B; Lyle, TA; Mallai, R; Schleif, WA; Staas, DD; Vacca, JP; Wai, JS; Williams, PD; Young, SD; Zhuang, L, 2007)		0.34
" The epidemiological evidence suggests that acute myelogenous leukemia (AML) associated with chronic occupational benzene exposure can be best described by sigmoid dose-response relationships."( Is benzene exposure from gasoline carcinogenic?
Jamall, IS; Willhite, CC, 2008)		1.18
" Anyway, in consideration of the carcinogenic properties of benzene and of its dose-response relation, without a treshold dose, we believe that the environmental and occupational monitoring is very important."( [Benzene low dose exposure: comparison of different biologic markers among exposed workers and the general population].
De Marchis, P; Picciotto, D; Schillaci, S; Tranchina, E; Tranchina, G; Verso, MG, )		1.28
"The probability of the occurrence of cancer during the lifetime of individual exposed to an agent at dose D during lifetime was estimated by using dose-response models."( [Quantitative method of health risk assessment for occupational exposure to benzene based on dose-response models].
Liu, M; Wang, Y, 2008)		0.58
" The dose-response curves obtained from three models were all linear."( [Quantitative method of health risk assessment for occupational exposure to benzene based on dose-response models].
Liu, M; Wang, Y, 2008)		0.58
"Rats (Rattus norvegicus) were intraperitoneally injected with a 100 mg kg(-1) dosage of benzene, a toxic and carcinogenic agent widely used for industrial purposes."( Effect of Benzene on liver functions in rats (Rattus norvegicus).
Ari, F; Dere, E, 2009)		0.98
" On the basis of cell viability tests using an acid phosphatase assay after 48 h of gas exposure, the developed device was able to measure clear dose-response relationships for volatile organic and inorganic compounds, such as benzene, trichloroethylene (TCE), acetone, SO(2) and NO(2) gases, but not CO gas."( Development of an in vitro batch-type closed gas exposure device with an alveolar epithelial cell line, A549, for toxicity evaluations of gaseous compounds.
Fujii, T; Komori, K; Miyajima, S; Mohri, S; Murai, K; Ono, Y; Sakai, Y, 2008)		0.53
" The treatment was conducted in a semi-batch reactor under different experimental conditions by varying ozone gas dosage and incident UV light intensity."( Treatment of groundwater contaminated with gasoline components by an ozone/UV process.
Garoma, T; Gurol, MD; Osibodu, O; Thotakura, L, 2008)		0.35
" The thymus weights of all dosed groups of males were significantly decreased."( NTP report on the toxicology and carcinogenesis study of benzene (CAS No. 71-43-2) in genetically modified haploinsufficient p16 Ink4a/p19 Arf mice (gavage study).
, 2007)		0.58
" Therefore, a repeated addition of moderate concentrations of H(2)O(2) proved to be more favourable than the addition of high concentrations at a single dosing port."( Development of a groundwater biobarrier for the removal of polycyclic aromatic hydrocarbons, BTEX, and heterocyclic hydrocarbons.
Alt, S; Jacob, H; Müller, A; Schad, H; Tiehm, A; Weingran, C, 2008)		0.35
"This study investigated the rates and pathways of gamma-hexachlorocyclohexane (gamma-HCH) dechlorination by granular zero-valent iron under different pH, iron dosage and temperature conditions."( Dechlorination of gamma-hexachlorocyclohexane by zero-valent metallic iron.
Huang, W; Peng, P; Wang, Z, 2009)		0.35
"No dose-response effect was observed for most of the examined hematological outcomes (WBC, lymphocytes, neutrophils, monocytes, RBC, Hb, HCT, MCV, platelets and MPV)."( Early effects of low benzene exposure on blood cell counts in Bulgarian petrochemical workers.
Bertazzi, PA; Bonzini, M; Carugno, M; Consonni, D; Fontana, V; Garte, S; Georgieva, T; Goldstein, BD; Merlo, DF; Panev, T; Pesatori, AC; Popov, T; Stagi, E; Taioli, E, )		0.45
" rhodesiense in vivo, curing three of four infected mice dosed intraperitoneally at 5 mg/kg x 4 days."( Synthesis and antiprotozoal activities of dicationic bis(phenoxymethyl)benzenes, bis(phenoxymethyl)naphthalenes, and bis(benzyloxy)naphthalenes.
Bakunov, SA; Bakunova, SM; Barzcz, T; Brun, R; Chen, H; Jones, SK; Kumar, EV; Patrick, DA; Tidwell, RR; Wenzler, T; Werbovetz, KA, 2009)		0.59
" Dose-response cytotoxicity was assessed using two cell lines: alveolar derived (A549) human epithelial adenocarcinoma and human lung (LL24) fibroblast."( Effects of low concentrations of benzene on human lung cells in vitro.
Cammarota, M; De Rosa, M; Giuliano, M; Lamberti, M; Miraglia, N; Sannolo, N; Stellavato, A, 2009)		0.63
" Benzene exposure did not show a strong dose-response relationship with either subtype."( A hospital-based case control study of aplastic anemia in Shanghai, China.
Armstrong, TW; Copley, GB; Gross, SA; Irons, RD; Ryder, J; Schnatter, AR; Wang, XQ, 2010)		1.27
" Instead, we reviewed whether dose-response relationships existed."( Benzene and the risk of non-Hodgkin lymphoma: a review and meta-analysis of the literature.
Kane, EV; Newton, R, 2010)		1.8
" The network was used to perform the biomarker-based dose-response analysis, and various other approaches to the dose-response analysis were conducted for comparison."( A Bayesian network model for biomarker-based dose response.
Fowler, B; Haber, LT; Hack, CE; Lotz, WG; Maier, A; Savage, RE; Shulte, P, 2010)		0.36
" For the best separation and low back pressure, orthogonal experiments were carried out with V (cyclohexanol): V (dodecanol), V (GMA): V (DVB) and BPO dosage as the three main factors."( [Optimization of preparation of poly ( glycidyl methacrylate-divinylbenzene) monolithic column with orthogonal experiments for separation of small molecules].
Liu, Z; Ma, W; Ning, F; Xu, H, 2010)		0.6
"Our study provides consistent evidence that exposure to benzene at work increases the risk of leukemia with a dose-response pattern."( Exposure to benzene at work and the risk of leukemia: a systematic review and meta-analysis.
Jaakkola, JJ; Jaakkola, MS; Khalade, A; Pukkala, E, 2010)		0.99
" In addition, experiments with continuous passive dosing of analytes into the water phase were conducted to simulate a system where thermodynamic activity of the chemical in the aqueous phase is identical in the presence and absence of DHS."( Sorption-induced effects of humic substances on mass transfer of organic pollutants through aqueous diffusion boundary layers: the example of water/air exchange.
Georgi, A; Kopinke, FD; Ramus, K, 2012)		0.38
" When tested with benzene, toluene, ethyl-benzene and xylene, aniline and CAs, the response data were best fit by a sigmoidal dose-response relationship, from which the K(½) value was determined for the positive effectors."( Construction and application of an Escherichia coli bioreporter for aniline and chloroaniline detection.
Kalambaheti, C; Kataoka, N; Kato, J; Soonglerdsongpha, S; Tajima, T; Vangnai, AS, 2012)		0.71
" Dose-response relationships were examined for five LH cancers, including the three most common leukemia cell-types (AML, chronic myeloid leukemia [CML], and chronic lymphoid leukemia [CLL]) and two myeloid tumors (myelodysplastic syndrome [MDS] and myeloproliferative disease [MPD])."( Myelodysplastic syndrome and benzene exposure among petroleum workers: an international pooled analysis.
Glass, DC; Irons, RD; Rushton, L; Schnatter, AR; Tang, G, 2012)		0.67
"Cumulative benzene exposure showed a monotonic dose-response relationship with MDS (highest vs lowest tertile, >2."( Myelodysplastic syndrome and benzene exposure among petroleum workers: an international pooled analysis.
Glass, DC; Irons, RD; Rushton, L; Schnatter, AR; Tang, G, 2012)		1.06
" An integrated modeling environment was constructed comprising traffic emissions, dispersion models, human exposure models and a coupled internal dose/biology-based dose-response risk assessment model, in order to assess the benzene imposed leukemia risk, as much as the impact of traffic fleet renewal and smoking banning to these levels."( A methodological frame for assessing benzene induced leukemia risk mitigation due to policy measures.
Gotti, A; Karakitsios, SP; Kassomenos, PA; Pilidis, GA; Sarigiannis, DΑ, 2013)		0.85
" Within each study, dose-response analyses showed subfamily-specific correlations of methylation with exposure levels."( Evolutionary age of repetitive element subfamilies and sensitivity of DNA methylation to airborne pollutants.
Apostoli, P; Baccarelli, AA; Bertazzi, PA; Byun, HM; Hou, L; Motta, V; Panni, T, 2013)		0.39
"001), and showed a cumulative exposure dose-response relationship."( Effect of polymorphic metabolizing genes on micronucleus frequencies among benzene-exposed shoe workers in China.
Au, WW; Christiani, DC; Feng, NN; Hao, YH; Ren, JC; Ru, JG; Sun, P; Tian, W; Wang, JW; Xia, ZL; Xu, XW; Ye, LL; Zhang, GH; Zhou, LF, 2014)		0.63
" The response patterns of majority of genes as captured by mean estimates of the first and second principal components of the dose-response for the five pathways and the profiles of 6 AML pathway response-representative genes (identified by clustering) exhibited similar apparent supra-linear responses."( Characterization of changes in gene expression and biochemical pathways at low levels of benzene exposure.
Guyton, KZ; Hubbard, AE; Jinot, J; Lan, Q; McHale, CM; Rappaport, SM; Rothman, N; Smith, MT; Sonawane, BR; Thomas, R; Vermeulen, R; Zhang, L, 2014)		0.62
"As a part of the Japanese Center for the Validation of Alternative Methods (JaCVAM)-initiative international validation study of the in vivo alkaline comet assay (comet assay), we examined DNA damage in the liver, stomach, and bone marrow of rats dosed orally three times with up to 2000 mg/kg of benzene, di(2-ethylhexyl) phthalate, and trisodium ethylenediamine tetraacetic acid monohydrate."( Genotoxicity evaluation of benzene, di(2-ethylhexyl) phthalate, and trisodium ethylenediamine tetraacetic acid monohydrate using a combined rat comet/micronucleus assays.
Funabashi, H; Kimura, J; Kitamoto, S; Matsuyama, R; Miyata, K; Ogata, K; Ota, M; Saito, K; Uematsu, Y; Yamada, T, 2015)		0.89
" Anomaly categories showing the strongest dose-response relation with PM10 exposure were musculoskeletal and chromosomal abnormalities but not cardiovascular defects, with Down syndrome being among the specific abnormalities showing the strongest association, though risk estimates particularly for the less frequent defects were statistically very unstable."( Does maternal exposure to benzene and PM10 during pregnancy increase the risk of congenital anomalies? A population-based case-control study.
Astolfi, G; Calzolari, E; Cherubini, A; Heck, JE; Maffeis, G; Malagoli, C; Malavolti, M; Nicolini, F; Rodolfi, R; Vinceti, M, 2016)		0.73
" Based on the dose-response of γH2AX and Hill model, the ability to induce DNA double-strand break can be evaluated as acrolein>formaldehyde>acetaldehyde>benzene."( Assessment of genotoxicity of four volatile pollutants from cigarette smoke based on the in vitro γH2AX assay using high content screening.
Chen, H; Hou, H; Hu, Q; Liu, Y; Wang, A; Zhang, S, 2017)		0.65
"The effect of different microaeration flow rates and dosing points, and of effluent recirculation, on microaerobic BTEX degradation in an anaerobic bioreactor was assessed."( Process bioengineering applied to BTEX degradation in microaerobic treatment systems.
Dos Santos, AB; Dutra, AMM; Firmino, PIM; Pereira, AM; Siqueira, JPS, 2018)		0.48
"18) for the high decile of cumulative benzene exposure, indicating a statistically significant dose-response relationship."( Benzene exposure at workplace and risk of colorectal cancer in four Nordic countries.
Hansen, J; Kjaerheim, K; Martinsen, JI; Pukkala, E; Sormunen, J; Sparen, P; Talibov, M; Tryggvadottir, L; Weiderpass, E, 2018)		2.19
" Neither a lower velocity nor higher permanganate dosing affected the long-term behavior of the dissolved phase concentrations; however, increasing the mass transfer rate coefficient had an impact."( Realistic expectations for the treatment of FMGP residuals by chemical oxidants.
Brey, AP; Gasinski, CM; Marley, M; Pence, W; Shafieiyoun, S; Thomson, NR, 2018)		0.48
"008) increased risk of genetic damage compared with workers with no or one mutant allele, and a dose-response relationship was found by the trend test (p = 0."( Association of BER and NER pathway polymorphism haplotypes and micronucleus frequencies with global DNA methylation in benzene-exposed workers of China: Effects of DNA repair genes polymorphisms on genetic damage.
Cao, J; Cui, J; Cui, S; Du, Y; Luo, M; Ren, JC; Wang, X; Wu, W; Xia, ZL; Yang, D; Zhang, GH, 2019)		0.72
" However, a dose-response function (DRF), informed by various levels of information including apical health response, can represent a template for convergent top-down, bottom-up analysis."( A general dose-response relationship for chronic chemical and other health stressors and mixtures based on an emergent illness severity model.
Chiu, WA; Englehardt, JD, 2019)		0.51
"We review approaches for characterizing "peak" exposures in epidemiologic studies and methods for incorporating peak exposure metrics in dose-response assessments that contribute to risk assessment."( Peak Exposures in Epidemiologic Studies and Cancer Risks: Considerations for Regulatory Risk Assessment.
Checkoway, H; Dell, LD; Gentry, PR; Lees, PSJ; Mundt, KA, 2019)		0.51
"MS was also used to quantify urinary sulforaphane metabolites in each dosing regimen that resulted in a median 24-h urinary output of 24."( Dose-dependent detoxication of the airborne pollutant benzene in a randomized trial of broccoli sprout beverage in Qidong, China.
Carmella, S; Chen, JG; Chen, YS; Egner, P; Fahey, J; Groopman, J; Hecht, S; Jacobson, L; Johnson, J; Kensler, K; Kensler, T; Lu, LL; Muñoz, A; Ng, D; Rule, A; Sun, Y; Wang, JB; Wu, Y; Xue, XF; Zhang, YH; Zhu, J; Zhu, YR, 2019)		0.76
"An intervention with a broccoli sprout beverage enhanced the detoxication of benzene, an important airborne pollutant, when dosed at a concentration evoking a urinary elimination of ∼25 µmol sulforaphane metabolites per day, and it portends a practical and frugal population-based strategy to attenuate associated long-term health risks of air pollution."( Dose-dependent detoxication of the airborne pollutant benzene in a randomized trial of broccoli sprout beverage in Qidong, China.
Carmella, S; Chen, JG; Chen, YS; Egner, P; Fahey, J; Groopman, J; Hecht, S; Jacobson, L; Johnson, J; Kensler, K; Kensler, T; Lu, LL; Muñoz, A; Ng, D; Rule, A; Sun, Y; Wang, JB; Wu, Y; Xue, XF; Zhang, YH; Zhu, J; Zhu, YR, 2019)		0.99
"The dose-response curve revealed U-shaped nonlinear relationships of SPMA with hematocrit (HCT) and mean corpuscular hemoglobin concentration (MCHC) (P-overall < 0."( Influence of benzene exposure, fat content, and their interactions on erythroid-related hematologic parameters in petrochemical workers: a cross-sectional study.
Chen, L; Chen, W; Dang, S; Deng, Q; Guo, H; He, Z; Huang, M; Li, J; Ma, X; Peng, J; Wang, H; Wu, D; Xiao, Y; Xing, X; Yang, B; Zhang, X; Zhang, Z; Zhu, Y, 2020)		0.93
" Dose-response relationships between biomarkers of oxidative stress and of dose were studied."( Direct and Oxidative DNA Damage in a Group of Painters Exposed to VOCs: Dose - Response Relationship.
Balzani, B; Capone, P; Carbonari, D; Cavallo, D; Chiarella, P; Ciervo, A; Fresegna, AM; Gherardi, M; Gordiani, A; L'Episcopo, N; Maiello, R; Paci, E; Pigini, D; Sisto, R; Tranfo, G; Ursini, CL, 2020)		0.56
"Benzene exposure increased mtDNAcn and indicated a dose-response relationship (P < 0."( Gene-Environment Interactions Between Environmental Response Genes Polymorphisms and Mitochondrial DNA Copy Numbers Among Benzene Workers.
Dong, T; Ji, B; Li, J; Ren, JC; Wang, Y; Xia, ZL; Xiao, LY; Zhang, F; Zhang, GH, 2021)		2.27
" Adsorption studies demonstrated that a low dosage of GEL-SBA15 (10 mg) has a high adsorption capacity for benzene (1482."( Adsorption of benzene and toluene from aqueous solution using a composite hydrogel of alginate-grafted with mesoporous silica.
Bertizzolo, EG; Bianchini, D; da Costa, JS; Fajardo, AR, 2021)		1.2
" miR-181a-5p, 221-3p, 223-3p, 342-3p, and 638 showed dose-response relationship with benzene series, and were closely related to multiple tumor pathways."( Expression level and function analysis of serum miRNAs in workers with occupational exposure to benzene series.
Dai, K; Hao, C; Wang, C; Yao, W, 2023)		1.35
" Finally, restricted cubic spline (RCS) analysis was utilized to explore the dose-response relationship between blood VOCs and the risk of depression."( Association of volatile organic compounds exposure with the risk of depression in U.S. adults: a cross‑sectional study from NHANES 2013-2016.
Ju, Y; Wang, M; Wu, R; Yang, Y; Zhu, Y, 2023)		0.91
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Roles (3)

RoleDescription
non-polar solventnull
carcinogenic agentA role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
environmental contaminantAny minor or unwanted substance introduced into the environment that can have undesired effects.
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Drug Classes (3)

ClassDescription
benzenesAny benzenoid aromatic compound consisting of the benzene skeleton and its substituted derivatives.
aromatic annulene
volatile organic compoundAny organic compound having an initial boiling point less than or equal to 250 degreeC (482 degreeF) measured at a standard atmospheric pressure of 101.3 kPa.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Pathways (9)

PathwayProteinsCompounds
Metabolism14961108
Biological oxidations150276
Phase I - Functionalization of compounds69175
Cytochrome P450 - arranged by substrate type30110
Xenobiotics450
CYP2E1 reactions019
phenylmercury acetate degradation19
benzene degradation411
Benzene metabolism010

Protein Targets (20)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
pregnane X receptorRattus norvegicus (Norway rat)Potency79.43280.025127.9203501.1870AID651751
thyroid stimulating hormone receptorHomo sapiens (human)Potency23.87700.001318.074339.8107AID926; AID938
progesterone receptorHomo sapiens (human)Potency0.00170.000417.946075.1148AID1346784
retinoid X nuclear receptor alphaHomo sapiens (human)Potency794.32800.000817.505159.3239AID588544
peroxisome proliferator-activated receptor deltaHomo sapiens (human)Potency28.18380.001024.504861.6448AID588535
cellular tumor antigen p53 isoform aHomo sapiens (human)Potency0.00400.316212.443531.6228AID924
Cellular tumor antigen p53Homo sapiens (human)Potency0.60140.002319.595674.0614AID651631
Integrin beta-3Homo sapiens (human)Potency0.00400.316211.415731.6228AID924
Integrin alpha-IIbHomo sapiens (human)Potency0.00400.316211.415731.6228AID924
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, IntegraseHuman immunodeficiency virus 1IC50 (µMol)380.0000380.0000380.0000380.0000AID977608
Chain A, IntegraseHuman immunodeficiency virus 1IC50 (µMol)380.0000380.0000380.0000380.0000AID977608
Chain A, Replicase polyprotein 1abSevere acute respiratory syndrome-related coronavirusKi0.70000.70001.05001.4000AID977610
Chain A, 3C-like proteinaseSevere acute respiratory syndrome-related coronavirusKi0.70000.70001.05001.4000AID977610
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Activation Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, T4 LYSOZYMETequatrovirus T4Kd400.0000400.0000400.0000400.0000AID977611
Chain A, GCN4P1Saccharomyces cerevisiae (brewer's yeast)Kd800.0000800.0000800.0000800.0000AID977611
Chain B, GCN4P1Saccharomyces cerevisiae (brewer's yeast)Kd800.0000800.0000800.0000800.0000AID977611
Chain C, GCN4P1Saccharomyces cerevisiae (brewer's yeast)Kd800.0000800.0000800.0000800.0000AID977611
Chain A, T4 LYSOZYMETequatrovirus T4Kd400.0000400.0000400.0000400.0000AID977611
Chain A, T4 LYSOZYMETequatrovirus T4Kd400.0000400.0000400.0000400.0000AID977611
EndolysinTequatrovirus T4Kd214.25003.00003.00003.0000AID238119; AID728447; AID728449; AID728450
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (191)

Processvia Protein(s)Taxonomy
negative regulation of cell population proliferationCellular tumor antigen p53Homo sapiens (human)
regulation of cell cycleCellular tumor antigen p53Homo sapiens (human)
regulation of cell cycle G2/M phase transitionCellular tumor antigen p53Homo sapiens (human)
DNA damage responseCellular tumor antigen p53Homo sapiens (human)
ER overload responseCellular tumor antigen p53Homo sapiens (human)
cellular response to glucose starvationCellular tumor antigen p53Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediatorCellular tumor antigen p53Homo sapiens (human)
regulation of apoptotic processCellular tumor antigen p53Homo sapiens (human)
positive regulation of transcription by RNA polymerase IICellular tumor antigen p53Homo sapiens (human)
positive regulation of miRNA transcriptionCellular tumor antigen p53Homo sapiens (human)
negative regulation of transcription by RNA polymerase IICellular tumor antigen p53Homo sapiens (human)
mitophagyCellular tumor antigen p53Homo sapiens (human)
in utero embryonic developmentCellular tumor antigen p53Homo sapiens (human)
somitogenesisCellular tumor antigen p53Homo sapiens (human)
release of cytochrome c from mitochondriaCellular tumor antigen p53Homo sapiens (human)
hematopoietic progenitor cell differentiationCellular tumor antigen p53Homo sapiens (human)
T cell proliferation involved in immune responseCellular tumor antigen p53Homo sapiens (human)
B cell lineage commitmentCellular tumor antigen p53Homo sapiens (human)
T cell lineage commitmentCellular tumor antigen p53Homo sapiens (human)
response to ischemiaCellular tumor antigen p53Homo sapiens (human)
nucleotide-excision repairCellular tumor antigen p53Homo sapiens (human)
double-strand break repairCellular tumor antigen p53Homo sapiens (human)
regulation of DNA-templated transcriptionCellular tumor antigen p53Homo sapiens (human)
regulation of transcription by RNA polymerase IICellular tumor antigen p53Homo sapiens (human)
protein import into nucleusCellular tumor antigen p53Homo sapiens (human)
autophagyCellular tumor antigen p53Homo sapiens (human)
DNA damage responseCellular tumor antigen p53Homo sapiens (human)
DNA damage response, signal transduction by p53 class mediator resulting in cell cycle arrestCellular tumor antigen p53Homo sapiens (human)
DNA damage response, signal transduction by p53 class mediator resulting in transcription of p21 class mediatorCellular tumor antigen p53Homo sapiens (human)
transforming growth factor beta receptor signaling pathwayCellular tumor antigen p53Homo sapiens (human)
Ras protein signal transductionCellular tumor antigen p53Homo sapiens (human)
gastrulationCellular tumor antigen p53Homo sapiens (human)
neuroblast proliferationCellular tumor antigen p53Homo sapiens (human)
negative regulation of neuroblast proliferationCellular tumor antigen p53Homo sapiens (human)
protein localizationCellular tumor antigen p53Homo sapiens (human)
negative regulation of DNA replicationCellular tumor antigen p53Homo sapiens (human)
negative regulation of cell population proliferationCellular tumor antigen p53Homo sapiens (human)
determination of adult lifespanCellular tumor antigen p53Homo sapiens (human)
mRNA transcriptionCellular tumor antigen p53Homo sapiens (human)
rRNA transcriptionCellular tumor antigen p53Homo sapiens (human)
response to salt stressCellular tumor antigen p53Homo sapiens (human)
response to inorganic substanceCellular tumor antigen p53Homo sapiens (human)
response to X-rayCellular tumor antigen p53Homo sapiens (human)
response to gamma radiationCellular tumor antigen p53Homo sapiens (human)
positive regulation of gene expressionCellular tumor antigen p53Homo sapiens (human)
cardiac muscle cell apoptotic processCellular tumor antigen p53Homo sapiens (human)
positive regulation of cardiac muscle cell apoptotic processCellular tumor antigen p53Homo sapiens (human)
glial cell proliferationCellular tumor antigen p53Homo sapiens (human)
viral processCellular tumor antigen p53Homo sapiens (human)
glucose catabolic process to lactate via pyruvateCellular tumor antigen p53Homo sapiens (human)
cerebellum developmentCellular tumor antigen p53Homo sapiens (human)
negative regulation of cell growthCellular tumor antigen p53Homo sapiens (human)
DNA damage response, signal transduction by p53 class mediatorCellular tumor antigen p53Homo sapiens (human)
negative regulation of transforming growth factor beta receptor signaling pathwayCellular tumor antigen p53Homo sapiens (human)
mitotic G1 DNA damage checkpoint signalingCellular tumor antigen p53Homo sapiens (human)
negative regulation of telomere maintenance via telomeraseCellular tumor antigen p53Homo sapiens (human)
T cell differentiation in thymusCellular tumor antigen p53Homo sapiens (human)
tumor necrosis factor-mediated signaling pathwayCellular tumor antigen p53Homo sapiens (human)
regulation of tissue remodelingCellular tumor antigen p53Homo sapiens (human)
cellular response to UVCellular tumor antigen p53Homo sapiens (human)
multicellular organism growthCellular tumor antigen p53Homo sapiens (human)
positive regulation of mitochondrial membrane permeabilityCellular tumor antigen p53Homo sapiens (human)
cellular response to glucose starvationCellular tumor antigen p53Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediatorCellular tumor antigen p53Homo sapiens (human)
positive regulation of apoptotic processCellular tumor antigen p53Homo sapiens (human)
negative regulation of apoptotic processCellular tumor antigen p53Homo sapiens (human)
entrainment of circadian clock by photoperiodCellular tumor antigen p53Homo sapiens (human)
mitochondrial DNA repairCellular tumor antigen p53Homo sapiens (human)
regulation of DNA damage response, signal transduction by p53 class mediatorCellular tumor antigen p53Homo sapiens (human)
positive regulation of neuron apoptotic processCellular tumor antigen p53Homo sapiens (human)
transcription initiation-coupled chromatin remodelingCellular tumor antigen p53Homo sapiens (human)
negative regulation of proteolysisCellular tumor antigen p53Homo sapiens (human)
negative regulation of DNA-templated transcriptionCellular tumor antigen p53Homo sapiens (human)
positive regulation of DNA-templated transcriptionCellular tumor antigen p53Homo sapiens (human)
positive regulation of RNA polymerase II transcription preinitiation complex assemblyCellular tumor antigen p53Homo sapiens (human)
positive regulation of transcription by RNA polymerase IICellular tumor antigen p53Homo sapiens (human)
response to antibioticCellular tumor antigen p53Homo sapiens (human)
fibroblast proliferationCellular tumor antigen p53Homo sapiens (human)
negative regulation of fibroblast proliferationCellular tumor antigen p53Homo sapiens (human)
circadian behaviorCellular tumor antigen p53Homo sapiens (human)
bone marrow developmentCellular tumor antigen p53Homo sapiens (human)
embryonic organ developmentCellular tumor antigen p53Homo sapiens (human)
positive regulation of peptidyl-tyrosine phosphorylationCellular tumor antigen p53Homo sapiens (human)
protein stabilizationCellular tumor antigen p53Homo sapiens (human)
negative regulation of helicase activityCellular tumor antigen p53Homo sapiens (human)
protein tetramerizationCellular tumor antigen p53Homo sapiens (human)
chromosome organizationCellular tumor antigen p53Homo sapiens (human)
neuron apoptotic processCellular tumor antigen p53Homo sapiens (human)
regulation of cell cycleCellular tumor antigen p53Homo sapiens (human)
hematopoietic stem cell differentiationCellular tumor antigen p53Homo sapiens (human)
negative regulation of glial cell proliferationCellular tumor antigen p53Homo sapiens (human)
type II interferon-mediated signaling pathwayCellular tumor antigen p53Homo sapiens (human)
cardiac septum morphogenesisCellular tumor antigen p53Homo sapiens (human)
positive regulation of programmed necrotic cell deathCellular tumor antigen p53Homo sapiens (human)
protein-containing complex assemblyCellular tumor antigen p53Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to endoplasmic reticulum stressCellular tumor antigen p53Homo sapiens (human)
thymocyte apoptotic processCellular tumor antigen p53Homo sapiens (human)
positive regulation of thymocyte apoptotic processCellular tumor antigen p53Homo sapiens (human)
necroptotic processCellular tumor antigen p53Homo sapiens (human)
cellular response to hypoxiaCellular tumor antigen p53Homo sapiens (human)
cellular response to xenobiotic stimulusCellular tumor antigen p53Homo sapiens (human)
cellular response to ionizing radiationCellular tumor antigen p53Homo sapiens (human)
cellular response to gamma radiationCellular tumor antigen p53Homo sapiens (human)
cellular response to UV-CCellular tumor antigen p53Homo sapiens (human)
stem cell proliferationCellular tumor antigen p53Homo sapiens (human)
signal transduction by p53 class mediatorCellular tumor antigen p53Homo sapiens (human)
intrinsic apoptotic signaling pathway by p53 class mediatorCellular tumor antigen p53Homo sapiens (human)
reactive oxygen species metabolic processCellular tumor antigen p53Homo sapiens (human)
cellular response to actinomycin DCellular tumor antigen p53Homo sapiens (human)
positive regulation of release of cytochrome c from mitochondriaCellular tumor antigen p53Homo sapiens (human)
cellular senescenceCellular tumor antigen p53Homo sapiens (human)
replicative senescenceCellular tumor antigen p53Homo sapiens (human)
oxidative stress-induced premature senescenceCellular tumor antigen p53Homo sapiens (human)
intrinsic apoptotic signaling pathwayCellular tumor antigen p53Homo sapiens (human)
oligodendrocyte apoptotic processCellular tumor antigen p53Homo sapiens (human)
positive regulation of execution phase of apoptosisCellular tumor antigen p53Homo sapiens (human)
negative regulation of mitophagyCellular tumor antigen p53Homo sapiens (human)
regulation of mitochondrial membrane permeability involved in apoptotic processCellular tumor antigen p53Homo sapiens (human)
regulation of intrinsic apoptotic signaling pathway by p53 class mediatorCellular tumor antigen p53Homo sapiens (human)
positive regulation of miRNA transcriptionCellular tumor antigen p53Homo sapiens (human)
negative regulation of G1 to G0 transitionCellular tumor antigen p53Homo sapiens (human)
negative regulation of miRNA processingCellular tumor antigen p53Homo sapiens (human)
negative regulation of glucose catabolic process to lactate via pyruvateCellular tumor antigen p53Homo sapiens (human)
negative regulation of pentose-phosphate shuntCellular tumor antigen p53Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to hypoxiaCellular tumor antigen p53Homo sapiens (human)
regulation of fibroblast apoptotic processCellular tumor antigen p53Homo sapiens (human)
negative regulation of reactive oxygen species metabolic processCellular tumor antigen p53Homo sapiens (human)
positive regulation of reactive oxygen species metabolic processCellular tumor antigen p53Homo sapiens (human)
negative regulation of stem cell proliferationCellular tumor antigen p53Homo sapiens (human)
positive regulation of cellular senescenceCellular tumor antigen p53Homo sapiens (human)
positive regulation of intrinsic apoptotic signaling pathwayCellular tumor antigen p53Homo sapiens (human)
negative regulation of low-density lipoprotein receptor activityIntegrin beta-3Homo sapiens (human)
positive regulation of protein phosphorylationIntegrin beta-3Homo sapiens (human)
positive regulation of endothelial cell proliferationIntegrin beta-3Homo sapiens (human)
positive regulation of cell-matrix adhesionIntegrin beta-3Homo sapiens (human)
cell-substrate junction assemblyIntegrin beta-3Homo sapiens (human)
cell adhesionIntegrin beta-3Homo sapiens (human)
cell-matrix adhesionIntegrin beta-3Homo sapiens (human)
integrin-mediated signaling pathwayIntegrin beta-3Homo sapiens (human)
embryo implantationIntegrin beta-3Homo sapiens (human)
blood coagulationIntegrin beta-3Homo sapiens (human)
positive regulation of endothelial cell migrationIntegrin beta-3Homo sapiens (human)
positive regulation of gene expressionIntegrin beta-3Homo sapiens (human)
negative regulation of macrophage derived foam cell differentiationIntegrin beta-3Homo sapiens (human)
positive regulation of fibroblast migrationIntegrin beta-3Homo sapiens (human)
negative regulation of lipid storageIntegrin beta-3Homo sapiens (human)
response to activityIntegrin beta-3Homo sapiens (human)
smooth muscle cell migrationIntegrin beta-3Homo sapiens (human)
positive regulation of smooth muscle cell migrationIntegrin beta-3Homo sapiens (human)
platelet activationIntegrin beta-3Homo sapiens (human)
positive regulation of vascular endothelial growth factor receptor signaling pathwayIntegrin beta-3Homo sapiens (human)
cell-substrate adhesionIntegrin beta-3Homo sapiens (human)
activation of protein kinase activityIntegrin beta-3Homo sapiens (human)
negative regulation of lipid transportIntegrin beta-3Homo sapiens (human)
regulation of protein localizationIntegrin beta-3Homo sapiens (human)
regulation of actin cytoskeleton organizationIntegrin beta-3Homo sapiens (human)
cell adhesion mediated by integrinIntegrin beta-3Homo sapiens (human)
positive regulation of cell adhesion mediated by integrinIntegrin beta-3Homo sapiens (human)
positive regulation of osteoblast proliferationIntegrin beta-3Homo sapiens (human)
heterotypic cell-cell adhesionIntegrin beta-3Homo sapiens (human)
substrate adhesion-dependent cell spreadingIntegrin beta-3Homo sapiens (human)
tube developmentIntegrin beta-3Homo sapiens (human)
wound healing, spreading of epidermal cellsIntegrin beta-3Homo sapiens (human)
cellular response to platelet-derived growth factor stimulusIntegrin beta-3Homo sapiens (human)
apolipoprotein A-I-mediated signaling pathwayIntegrin beta-3Homo sapiens (human)
wound healingIntegrin beta-3Homo sapiens (human)
apoptotic cell clearanceIntegrin beta-3Homo sapiens (human)
regulation of bone resorptionIntegrin beta-3Homo sapiens (human)
positive regulation of angiogenesisIntegrin beta-3Homo sapiens (human)
positive regulation of bone resorptionIntegrin beta-3Homo sapiens (human)
symbiont entry into host cellIntegrin beta-3Homo sapiens (human)
platelet-derived growth factor receptor signaling pathwayIntegrin beta-3Homo sapiens (human)
positive regulation of fibroblast proliferationIntegrin beta-3Homo sapiens (human)
mesodermal cell differentiationIntegrin beta-3Homo sapiens (human)
positive regulation of smooth muscle cell proliferationIntegrin beta-3Homo sapiens (human)
positive regulation of peptidyl-tyrosine phosphorylationIntegrin beta-3Homo sapiens (human)
negative regulation of lipoprotein metabolic processIntegrin beta-3Homo sapiens (human)
negative chemotaxisIntegrin beta-3Homo sapiens (human)
regulation of release of sequestered calcium ion into cytosolIntegrin beta-3Homo sapiens (human)
regulation of serotonin uptakeIntegrin beta-3Homo sapiens (human)
angiogenesis involved in wound healingIntegrin beta-3Homo sapiens (human)
positive regulation of ERK1 and ERK2 cascadeIntegrin beta-3Homo sapiens (human)
platelet aggregationIntegrin beta-3Homo sapiens (human)
cellular response to mechanical stimulusIntegrin beta-3Homo sapiens (human)
cellular response to xenobiotic stimulusIntegrin beta-3Homo sapiens (human)
positive regulation of glomerular mesangial cell proliferationIntegrin beta-3Homo sapiens (human)
blood coagulation, fibrin clot formationIntegrin beta-3Homo sapiens (human)
maintenance of postsynaptic specialization structureIntegrin beta-3Homo sapiens (human)
regulation of postsynaptic neurotransmitter receptor internalizationIntegrin beta-3Homo sapiens (human)
regulation of postsynaptic neurotransmitter receptor diffusion trappingIntegrin beta-3Homo sapiens (human)
positive regulation of substrate adhesion-dependent cell spreadingIntegrin beta-3Homo sapiens (human)
positive regulation of adenylate cyclase-inhibiting opioid receptor signaling pathwayIntegrin beta-3Homo sapiens (human)
regulation of trophoblast cell migrationIntegrin beta-3Homo sapiens (human)
regulation of extracellular matrix organizationIntegrin beta-3Homo sapiens (human)
cellular response to insulin-like growth factor stimulusIntegrin beta-3Homo sapiens (human)
negative regulation of endothelial cell apoptotic processIntegrin beta-3Homo sapiens (human)
positive regulation of T cell migrationIntegrin beta-3Homo sapiens (human)
cell migrationIntegrin beta-3Homo sapiens (human)
positive regulation of leukocyte migrationIntegrin alpha-IIbHomo sapiens (human)
cell-matrix adhesionIntegrin alpha-IIbHomo sapiens (human)
integrin-mediated signaling pathwayIntegrin alpha-IIbHomo sapiens (human)
angiogenesisIntegrin alpha-IIbHomo sapiens (human)
cell-cell adhesionIntegrin alpha-IIbHomo sapiens (human)
cell adhesion mediated by integrinIntegrin alpha-IIbHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (51)

Processvia Protein(s)Taxonomy
transcription cis-regulatory region bindingCellular tumor antigen p53Homo sapiens (human)
RNA polymerase II cis-regulatory region sequence-specific DNA bindingCellular tumor antigen p53Homo sapiens (human)
DNA-binding transcription factor activity, RNA polymerase II-specificCellular tumor antigen p53Homo sapiens (human)
cis-regulatory region sequence-specific DNA bindingCellular tumor antigen p53Homo sapiens (human)
core promoter sequence-specific DNA bindingCellular tumor antigen p53Homo sapiens (human)
TFIID-class transcription factor complex bindingCellular tumor antigen p53Homo sapiens (human)
DNA-binding transcription repressor activity, RNA polymerase II-specificCellular tumor antigen p53Homo sapiens (human)
DNA-binding transcription activator activity, RNA polymerase II-specificCellular tumor antigen p53Homo sapiens (human)
protease bindingCellular tumor antigen p53Homo sapiens (human)
p53 bindingCellular tumor antigen p53Homo sapiens (human)
DNA bindingCellular tumor antigen p53Homo sapiens (human)
chromatin bindingCellular tumor antigen p53Homo sapiens (human)
DNA-binding transcription factor activityCellular tumor antigen p53Homo sapiens (human)
mRNA 3'-UTR bindingCellular tumor antigen p53Homo sapiens (human)
copper ion bindingCellular tumor antigen p53Homo sapiens (human)
protein bindingCellular tumor antigen p53Homo sapiens (human)
zinc ion bindingCellular tumor antigen p53Homo sapiens (human)
enzyme bindingCellular tumor antigen p53Homo sapiens (human)
receptor tyrosine kinase bindingCellular tumor antigen p53Homo sapiens (human)
ubiquitin protein ligase bindingCellular tumor antigen p53Homo sapiens (human)
histone deacetylase regulator activityCellular tumor antigen p53Homo sapiens (human)
ATP-dependent DNA/DNA annealing activityCellular tumor antigen p53Homo sapiens (human)
identical protein bindingCellular tumor antigen p53Homo sapiens (human)
histone deacetylase bindingCellular tumor antigen p53Homo sapiens (human)
protein heterodimerization activityCellular tumor antigen p53Homo sapiens (human)
protein-folding chaperone bindingCellular tumor antigen p53Homo sapiens (human)
protein phosphatase 2A bindingCellular tumor antigen p53Homo sapiens (human)
RNA polymerase II-specific DNA-binding transcription factor bindingCellular tumor antigen p53Homo sapiens (human)
14-3-3 protein bindingCellular tumor antigen p53Homo sapiens (human)
MDM2/MDM4 family protein bindingCellular tumor antigen p53Homo sapiens (human)
disordered domain specific bindingCellular tumor antigen p53Homo sapiens (human)
general transcription initiation factor bindingCellular tumor antigen p53Homo sapiens (human)
molecular function activator activityCellular tumor antigen p53Homo sapiens (human)
promoter-specific chromatin bindingCellular tumor antigen p53Homo sapiens (human)
fibroblast growth factor bindingIntegrin beta-3Homo sapiens (human)
C-X3-C chemokine bindingIntegrin beta-3Homo sapiens (human)
insulin-like growth factor I bindingIntegrin beta-3Homo sapiens (human)
neuregulin bindingIntegrin beta-3Homo sapiens (human)
virus receptor activityIntegrin beta-3Homo sapiens (human)
fibronectin bindingIntegrin beta-3Homo sapiens (human)
protease bindingIntegrin beta-3Homo sapiens (human)
protein disulfide isomerase activityIntegrin beta-3Homo sapiens (human)
protein kinase C bindingIntegrin beta-3Homo sapiens (human)
platelet-derived growth factor receptor bindingIntegrin beta-3Homo sapiens (human)
integrin bindingIntegrin beta-3Homo sapiens (human)
protein bindingIntegrin beta-3Homo sapiens (human)
coreceptor activityIntegrin beta-3Homo sapiens (human)
enzyme bindingIntegrin beta-3Homo sapiens (human)
identical protein bindingIntegrin beta-3Homo sapiens (human)
vascular endothelial growth factor receptor 2 bindingIntegrin beta-3Homo sapiens (human)
metal ion bindingIntegrin beta-3Homo sapiens (human)
cell adhesion molecule bindingIntegrin beta-3Homo sapiens (human)
extracellular matrix bindingIntegrin beta-3Homo sapiens (human)
fibrinogen bindingIntegrin beta-3Homo sapiens (human)
protein bindingIntegrin alpha-IIbHomo sapiens (human)
identical protein bindingIntegrin alpha-IIbHomo sapiens (human)
metal ion bindingIntegrin alpha-IIbHomo sapiens (human)
extracellular matrix bindingIntegrin alpha-IIbHomo sapiens (human)
molecular adaptor activityIntegrin alpha-IIbHomo sapiens (human)
fibrinogen bindingIntegrin alpha-IIbHomo sapiens (human)
integrin bindingIntegrin alpha-IIbHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (46)

Processvia Protein(s)Taxonomy
nuclear bodyCellular tumor antigen p53Homo sapiens (human)
nucleusCellular tumor antigen p53Homo sapiens (human)
nucleoplasmCellular tumor antigen p53Homo sapiens (human)
replication forkCellular tumor antigen p53Homo sapiens (human)
nucleolusCellular tumor antigen p53Homo sapiens (human)
cytoplasmCellular tumor antigen p53Homo sapiens (human)
mitochondrionCellular tumor antigen p53Homo sapiens (human)
mitochondrial matrixCellular tumor antigen p53Homo sapiens (human)
endoplasmic reticulumCellular tumor antigen p53Homo sapiens (human)
centrosomeCellular tumor antigen p53Homo sapiens (human)
cytosolCellular tumor antigen p53Homo sapiens (human)
nuclear matrixCellular tumor antigen p53Homo sapiens (human)
PML bodyCellular tumor antigen p53Homo sapiens (human)
transcription repressor complexCellular tumor antigen p53Homo sapiens (human)
site of double-strand breakCellular tumor antigen p53Homo sapiens (human)
germ cell nucleusCellular tumor antigen p53Homo sapiens (human)
chromatinCellular tumor antigen p53Homo sapiens (human)
transcription regulator complexCellular tumor antigen p53Homo sapiens (human)
protein-containing complexCellular tumor antigen p53Homo sapiens (human)
glutamatergic synapseIntegrin beta-3Homo sapiens (human)
nucleusIntegrin beta-3Homo sapiens (human)
nucleoplasmIntegrin beta-3Homo sapiens (human)
plasma membraneIntegrin beta-3Homo sapiens (human)
cell-cell junctionIntegrin beta-3Homo sapiens (human)
focal adhesionIntegrin beta-3Homo sapiens (human)
external side of plasma membraneIntegrin beta-3Homo sapiens (human)
cell surfaceIntegrin beta-3Homo sapiens (human)
apical plasma membraneIntegrin beta-3Homo sapiens (human)
platelet alpha granule membraneIntegrin beta-3Homo sapiens (human)
lamellipodium membraneIntegrin beta-3Homo sapiens (human)
filopodium membraneIntegrin beta-3Homo sapiens (human)
microvillus membraneIntegrin beta-3Homo sapiens (human)
ruffle membraneIntegrin beta-3Homo sapiens (human)
integrin alphav-beta3 complexIntegrin beta-3Homo sapiens (human)
melanosomeIntegrin beta-3Homo sapiens (human)
synapseIntegrin beta-3Homo sapiens (human)
postsynaptic membraneIntegrin beta-3Homo sapiens (human)
extracellular exosomeIntegrin beta-3Homo sapiens (human)
integrin alphaIIb-beta3 complexIntegrin beta-3Homo sapiens (human)
glycinergic synapseIntegrin beta-3Homo sapiens (human)
integrin complexIntegrin beta-3Homo sapiens (human)
protein-containing complexIntegrin beta-3Homo sapiens (human)
alphav-beta3 integrin-PKCalpha complexIntegrin beta-3Homo sapiens (human)
alphav-beta3 integrin-IGF-1-IGF1R complexIntegrin beta-3Homo sapiens (human)
alphav-beta3 integrin-HMGB1 complexIntegrin beta-3Homo sapiens (human)
receptor complexIntegrin beta-3Homo sapiens (human)
alphav-beta3 integrin-vitronectin complexIntegrin beta-3Homo sapiens (human)
alpha9-beta1 integrin-ADAM8 complexIntegrin beta-3Homo sapiens (human)
focal adhesionIntegrin beta-3Homo sapiens (human)
cell surfaceIntegrin beta-3Homo sapiens (human)
synapseIntegrin beta-3Homo sapiens (human)
plasma membraneIntegrin alpha-IIbHomo sapiens (human)
focal adhesionIntegrin alpha-IIbHomo sapiens (human)
cell surfaceIntegrin alpha-IIbHomo sapiens (human)
platelet alpha granule membraneIntegrin alpha-IIbHomo sapiens (human)
extracellular exosomeIntegrin alpha-IIbHomo sapiens (human)
integrin alphaIIb-beta3 complexIntegrin alpha-IIbHomo sapiens (human)
blood microparticleIntegrin alpha-IIbHomo sapiens (human)
integrin complexIntegrin alpha-IIbHomo sapiens (human)
external side of plasma membraneIntegrin alpha-IIbHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (52)

Assay IDTitleYearJournalArticle
AID1811Experimentally measured binding affinity data derived from PDB1998Journal of molecular biology, Mar-27, Volume: 277, Issue:2
Generation of ligand binding sites in T4 lysozyme by deficiency-creating substitutions.
AID977611Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB1998Journal of molecular biology, Mar-27, Volume: 277, Issue:2
Generation of ligand binding sites in T4 lysozyme by deficiency-creating substitutions.
AID23970logD (measured by HPLC) (as log k')1981Journal of medicinal chemistry, Mar, Volume: 24, Issue:3
Octanol-physiological buffer distribution coefficients of lipophilic amines by reversed-phase high-performance liquid chromatography and their correlation with biological activity.
AID238119Dissociation constant against T4 lysozyme mutant L99A2005Journal of medicinal chemistry, Jun-02, Volume: 48, Issue:11
Decoys for docking.
AID1134599CHCl3-water partition coefficient, log P of the compound1977Journal of medicinal chemistry, Aug, Volume: 20, Issue:8
Hydrogen-bonding parameter and its significance in quantitative structure--activity studies.
AID212400Toxicity determined using Tadpole Narcosis Test1991Journal of medicinal chemistry, May, Volume: 34, Issue:5
Using theoretical descriptors in quantitative structure-activity relationships: some toxicological indices.
AID728448Binding affinity to Enterobacteria phage T4 lysozyme L99A/M102Q double mutant expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry2013Journal of medicinal chemistry, Apr-11, Volume: 56, Issue:7
The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition.
AID1134600Octanol-water partition coefficient, log P of the compound1977Journal of medicinal chemistry, Aug, Volume: 20, Issue:8
Hydrogen-bonding parameter and its significance in quantitative structure--activity studies.
AID23960logD (measured by HPLC) (as log k')1981Journal of medicinal chemistry, Mar, Volume: 24, Issue:3
Octanol-physiological buffer distribution coefficients of lipophilic amines by reversed-phase high-performance liquid chromatography and their correlation with biological activity.
AID23968logD (measured by HPLC) (as log k')1981Journal of medicinal chemistry, Mar, Volume: 24, Issue:3
Octanol-physiological buffer distribution coefficients of lipophilic amines by reversed-phase high-performance liquid chromatography and their correlation with biological activity.
AID23973Partition coefficient (logD, measured by HPLC, log k')1981Journal of medicinal chemistry, Mar, Volume: 24, Issue:3
Octanol-physiological buffer distribution coefficients of lipophilic amines by reversed-phase high-performance liquid chromatography and their correlation with biological activity.
AID728450Binding affinity to Enterobacteria phage T4 lysozyme L99A/M102H double mutant expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry2013Journal of medicinal chemistry, Apr-11, Volume: 56, Issue:7
The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition.
AID728444Binding affinity to Enterobacteria phage T4 lysozyme L99A/M102H double mutant expressed in Escherichia coli BL21(DE3) assessed as change in melting temperature at 1 mM at pH 5.4 by circular dichroism analysis2013Journal of medicinal chemistry, Apr-11, Volume: 56, Issue:7
The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition.
AID1134601Hydrogen-bond basicity, pKHB of the compound1977Journal of medicinal chemistry, Aug, Volume: 20, Issue:8
Hydrogen-bonding parameter and its significance in quantitative structure--activity studies.
AID603952In-vitro blood to lung partition coefficients of the compound, logP(lung) (human/rat)2008European journal of medicinal chemistry, Mar, Volume: 43, Issue:3
Air to lung partition coefficients for volatile organic compounds and blood to lung partition coefficients for volatile organic compounds and drugs.
AID1179092Lipophilicity, log K of the compound by HPLC analysis2014Bioorganic & medicinal chemistry, Jul-15, Volume: 22, Issue:14
Sulfur, selenium and tellurium pseudopeptides: synthesis and biological evaluation.
AID728442Binding affinity to Enterobacteria phage T4 lysozyme L99A/M102H double mutant expressed in Escherichia coli BL21(DE3) assessed as change in melting temperature at 2 mM at pH 5.4 by circular dichroism analysis2013Journal of medicinal chemistry, Apr-11, Volume: 56, Issue:7
The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition.
AID19262Aqueous solubility2000Bioorganic & medicinal chemistry letters, Jun-05, Volume: 10, Issue:11
Prediction of drug solubility from Monte Carlo simulations.
AID24226Partition coefficient (logP)1985Journal of medicinal chemistry, Sep, Volume: 28, Issue:9
Quantitative evaluation of the beta 2-adrenoceptor affinity of phenoxypropanolamines and phenylethanolamines.
AID1134602Hexane-water partition coefficient, log P of the compound1977Journal of medicinal chemistry, Aug, Volume: 20, Issue:8
Hydrogen-bonding parameter and its significance in quantitative structure--activity studies.
AID237685Lipophilicity determined as logarithm of the partition coefficient in the alkane/water system2005Journal of medicinal chemistry, May-05, Volume: 48, Issue:9
Calculating virtual log P in the alkane/water system (log P(N)(alk)) and its derived parameters deltalog P(N)(oct-alk) and log D(pH)(alk).
AID1179091Retention time of the compound in 75% MeOH by HPLC analysis2014Bioorganic & medicinal chemistry, Jul-15, Volume: 22, Issue:14
Sulfur, selenium and tellurium pseudopeptides: synthesis and biological evaluation.
AID603957Octanol-water partition coefficient, log P of the compound2008European journal of medicinal chemistry, Apr, Volume: 43, Issue:4
QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES.
AID26047logBB, log(C brain / C blood)1996Journal of medicinal chemistry, Nov-22, Volume: 39, Issue:24
Computation of brain-blood partitioning of organic solutes via free energy calculations.
AID603951In-vitro air to blood partition coefficients of the compound, logK(blood) (human/rat)2008European journal of medicinal chemistry, Mar, Volume: 43, Issue:3
Air to lung partition coefficients for volatile organic compounds and blood to lung partition coefficients for volatile organic compounds and drugs.
AID346025Binding affinity to beta cyclodextrin2009Bioorganic & medicinal chemistry, Jan-15, Volume: 17, Issue:2
Convenient QSAR model for predicting the complexation of structurally diverse compounds with beta-cyclodextrins.
AID1149946Inhibition of alpha-chymotrypsin (unknown origin)1977Journal of medicinal chemistry, Nov, Volume: 20, Issue:11
Quantitative structure-activity relationship of chymotrypsin-ligand interactions.
AID728445Selectivity ratio of Kd for Enterobacteria phage T4 lysozyme L99A/M102H double mutant to Kd for Enterobacteria phage T4 lysozyme L99A/M102Q double mutant2013Journal of medicinal chemistry, Apr-11, Volume: 56, Issue:7
The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition.
AID23965logD (measured by HPLC) (as log k')1981Journal of medicinal chemistry, Mar, Volume: 24, Issue:3
Octanol-physiological buffer distribution coefficients of lipophilic amines by reversed-phase high-performance liquid chromatography and their correlation with biological activity.
AID603950In-vitro air to lung partition coefficients of the compound, logK(lung) (human/rat)2008European journal of medicinal chemistry, Mar, Volume: 43, Issue:3
Air to lung partition coefficients for volatile organic compounds and blood to lung partition coefficients for volatile organic compounds and drugs.
AID26296Partition coefficient (logD7.4)1981Journal of medicinal chemistry, Mar, Volume: 24, Issue:3
Octanol-physiological buffer distribution coefficients of lipophilic amines by reversed-phase high-performance liquid chromatography and their correlation with biological activity.
AID23963logD (measured by HPLC) (as log k')1981Journal of medicinal chemistry, Mar, Volume: 24, Issue:3
Octanol-physiological buffer distribution coefficients of lipophilic amines by reversed-phase high-performance liquid chromatography and their correlation with biological activity.
AID1367492Octanol-water partition coefficient, log P of the compound2017Bioorganic & medicinal chemistry letters, 12-01, Volume: 27, Issue:23
Improvement in aqueous solubility achieved via small molecular changes.
AID728449Binding affinity to Enterobacteria phage T4 lysozyme L99A mutant expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry2013Journal of medicinal chemistry, Apr-11, Volume: 56, Issue:7
The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition.
AID728447Binding affinity to Enterobacteria phage T4 lysozyme L99A/M102E double mutant expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry2013Journal of medicinal chemistry, Apr-11, Volume: 56, Issue:7
The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition.
AID1145576Octanol-water partition coefficient, log P of the compound1976Journal of medicinal chemistry, May, Volume: 19, Issue:5
Partition coefficients and surface areas of some alkylbenzenes.
AID1474183Aqueous solubility of the compound by spectrophotometric analysis2017Journal of medicinal chemistry, 05-11, Volume: 60, Issue:9
The Necessary Nitrogen Atom: A Versatile High-Impact Design Element for Multiparameter Optimization.
AID101345Toxicity determined using Golden Orfe Fish Test1991Journal of medicinal chemistry, May, Volume: 34, Issue:5
Using theoretical descriptors in quantitative structure-activity relationships: some toxicological indices.
AID162230The toxicity of compound was determined using Konemann's Industrial Pollutants Toxicity Test1991Journal of medicinal chemistry, May, Volume: 34, Issue:5
Using theoretical descriptors in quantitative structure-activity relationships: some toxicological indices.
AID23961logD (measured by HPLC) (as log k')1981Journal of medicinal chemistry, Mar, Volume: 24, Issue:3
Octanol-physiological buffer distribution coefficients of lipophilic amines by reversed-phase high-performance liquid chromatography and their correlation with biological activity.
AID159270Toxicity determined using Microtox Test1991Journal of medicinal chemistry, May, Volume: 34, Issue:5
Using theoretical descriptors in quantitative structure-activity relationships: some toxicological indices.
AID23971logD (measured by HPLC) (as log k')1981Journal of medicinal chemistry, Mar, Volume: 24, Issue:3
Octanol-physiological buffer distribution coefficients of lipophilic amines by reversed-phase high-performance liquid chromatography and their correlation with biological activity.
AID1145366Octanol-water partition coefficient, log P of the compound1976Journal of medicinal chemistry, May, Volume: 19, Issue:5
Application of SCAP to drug design. 1. Prediction of octanol-water partition coefficients using solvent-dependent conformational analyses.
AID977611Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB1992Nature, Jan-23, Volume: 355, Issue:6358
A cavity-containing mutant of T4 lysozyme is stabilized by buried benzene.
AID1811Experimentally measured binding affinity data derived from PDB1992Nature, Jan-23, Volume: 355, Issue:6358
A cavity-containing mutant of T4 lysozyme is stabilized by buried benzene.
AID1811Experimentally measured binding affinity data derived from PDB2001Acta crystallographica. Section D, Biological crystallography, Apr, Volume: 57, Issue:Pt 4
Identification of a small-molecule binding site at the dimer interface of the HIV integrase catalytic domain.
AID977608Experimentally measured binding affinity data (IC50) for protein-ligand complexes derived from PDB2001Acta crystallographica. Section D, Biological crystallography, Apr, Volume: 57, Issue:Pt 4
Identification of a small-molecule binding site at the dimer interface of the HIV integrase catalytic domain.
AID1811Experimentally measured binding affinity data derived from PDB1996Nature structural biology, Jun, Volume: 3, Issue:6
An engineered allosteric switch in leucine-zipper oligomerization.
AID977611Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB1996Nature structural biology, Jun, Volume: 3, Issue:6
An engineered allosteric switch in leucine-zipper oligomerization.
AID977610Experimentally measured binding affinity data (Ki) for protein-ligand complexes derived from PDB2007FEBS letters, Nov-27, Volume: 581, Issue:28
Structural basis of mercury- and zinc-conjugated complexes as SARS-CoV 3C-like protease inhibitors.
AID1811Experimentally measured binding affinity data derived from PDB2007FEBS letters, Nov-27, Volume: 581, Issue:28
Structural basis of mercury- and zinc-conjugated complexes as SARS-CoV 3C-like protease inhibitors.
AID977611Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB2013Journal of medicinal chemistry, Apr-11, Volume: 56, Issue:7
The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (9,077)

TimeframeStudies, This Drug (%)All Drugs %
pre-19902833 (31.21)18.7374
1990's899 (9.90)18.2507
2000's2157 (23.76)29.6817
2010's2339 (25.77)24.3611
2020's849 (9.35)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 124.55

According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be very strong demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index124.55 (24.57)
Research Supply Index9.18 (2.92)
Research Growth Index4.69 (4.65)
Search Engine Demand Index238.49 (26.88)
Search Engine Supply Index2.01 (0.95)

This Compound (124.55)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials25 (0.26%)5.53%
Reviews510 (5.27%)6.00%
Case Studies126 (1.30%)4.05%
Observational5 (0.05%)0.25%
Other9,011 (93.12%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
dinitrochlorobenzene
Dinitrochlorobenzene: A skin irritant that may cause dermatitis of both primary and allergic types. Contact sensitization with DNCB has been used as a measure of cellular immunity. DNCB is also used as a reagent for the detection and determination of pyridine compounds.. 1-chloro-2,4-dinitrobenzene : A C-nitro compound that is chlorobenzene carrying a nitro substituent at each of the 2- and 4-positions.		2.3320C-nitro compound;
monochlorobenzenes		allergen;
epitope;
sensitiser
ethylene dichloride
ethylene dichloride: RN given refers to 1,2-isomer; structure given in first source. 1,2-dichloroethane : A member of the class of chloroethanes substituted by two chloro groups at positions 1 and 2.		5.13140chloroethaneshepatotoxic agent;
mutagen;
non-polar solvent
1,2,4-trichlorobenzene
1,2,4-trichlorobenzene : A trichlorobenzene with chloro substituents at positions 1, 2 and 4.		4.2250trichlorobenzene
chloroacetaldehyde
[no description available]		3.0910organochlorine compound
ethylene chlorohydrin
Ethylene Chlorohydrin: Used as a solvent, in the manufacture of insecticides, and for treating sweet potatoes before planting. May cause nausea, vomiting, pains in head and chest, stupefaction. Irritates mucous membranes and causes kidney and liver degeneration.. chloroethanol : An organochlorine compound that is ethanol substituted by at least one chloro group.		2.0410chloroethanolxenobiotic metabolite
3-hydroxyanthranilic acid
3-Hydroxyanthranilic Acid: An oxidation product of tryptophan metabolism. It may be a free radical scavenger and a carcinogen.. 3-hydroxyanthranilic acid : An aminobenzoic acid that is benzoic acid substituted at C-2 by an amine group and at C-3 by a hydroxy group. It is an intermediate in the metabolism of the amino acid tryptophan.. 3-hydroxyanthranilate : A hydroxybenzoate that is the conjugate base of 3-hydroxyanthranilic acid.		2.3420aminobenzoic acid;
monohydroxybenzoic acid		human metabolite;
mouse metabolite
3-oxoadipic acid
3-oxoadipic acid: RN given refers to parent cpd. 3-oxoadipic acid : An oxo dicarboxylic acid consisting of adipic acid having a single oxo group at the 3-position.		2.4120dicarboxylic fatty acid;
oxo dicarboxylic acid		bacterial xenobiotic metabolite;
human metabolite
3-phenylpropionic acid
3-phenylpropionic acid: RN given refers to parent cpd. 3-phenylpropionic acid : A monocarboxylic acid that is propionic acid substituted at position 3 by a phenyl group.		1.9510benzenes;
monocarboxylic acid		antifungal agent;
human metabolite;
plant metabolite
gamma-aminobutyric acid
gamma-Aminobutyric Acid: The most common inhibitory neurotransmitter in the central nervous system.. gamma-aminobutyric acid : A gamma-amino acid that is butanoic acid with the amino substituent located at C-4.		6.9510amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid		human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule
4-hydroxybenzyl alcohol
4-hydroxybenzyl alcohol: the aglycone of gastrodin. p-hydroxybenzyl alcohol : A member of the class of benzyl alcohols that is benzyl alcohol substituted by a hydroxy group at position 4. It has been isolated from Arcangelisia gusanlung.		2.0510benzyl alcohols;
phenols		plant metabolite
4-hydroxybenzaldehyde
[no description available]		2.3820hydroxybenzaldehydeEC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor;
mouse metabolite;
plant metabolite
4-hydroxybenzoic acid
4-hydroxybenzoic acid : A monohydroxybenzoic acid that is benzoic acid carrying a hydroxy substituent at C-4 of the benzene ring.		2.4420monohydroxybenzoic acidalgal metabolite;
plant metabolite
aminolevulinic acid
Aminolevulinic Acid: A compound produced from succinyl-CoA and GLYCINE as an intermediate in heme synthesis. It is used as a PHOTOCHEMOTHERAPY for actinic KERATOSIS.. 5-aminolevulinic acid : The simplest delta-amino acid in which the hydrogens at the gamma position are replaced by an oxo group. It is metabolised to protoporphyrin IX, a photoactive compound which accumulates in the skin. Used (in the form of the hydrochloride salt)in combination with blue light illumination for the treatment of minimally to moderately thick actinic keratosis of the face or scalp.		7.38204-oxo monocarboxylic acid;
amino acid zwitterion;
delta-amino acid		antineoplastic agent;
dermatologic drug;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
photosensitizing agent;
plant metabolite;
prodrug;
Saccharomyces cerevisiae metabolite
ethylene glycol
Ethylene Glycol: A colorless, odorless, viscous dihydroxy alcohol. It has a sweet taste, but is poisonous if ingested. Ethylene glycol is the most important glycol commercially available and is manufactured on a large scale in the United States. It is used as an antifreeze and coolant, in hydraulic fluids, and in the manufacture of low-freezing dynamites and resins.. ethanediol : Any diol that is ethane or substituted ethane carrying two hydroxy groups.. ethylene glycol : A 1,2-glycol compound produced via reaction of ethylene oxide with water.		8.5180ethanediol;
glycol		metabolite;
mouse metabolite;
solvent;
toxin
acetic acid
Acetic Acid: Product of the oxidation of ethanol and of the destructive distillation of wood. It is used locally, occasionally internally, as a counterirritant and also as a reagent. (Stedman, 26th ed). acetic acid : A simple monocarboxylic acid containing two carbons.		4.03140monocarboxylic acidantimicrobial food preservative;
Daphnia magna metabolite;
food acidity regulator;
protic solvent
acetaldehyde
Acetaldehyde: A colorless, flammable liquid used in the manufacture of acetic acid, perfumes, and flavors. It is also an intermediate in the metabolism of alcohol. It has a general narcotic action and also causes irritation of mucous membranes. Large doses may cause death from respiratory paralysis.. acetaldehyde : The aldehyde formed from acetic acid by reduction of the carboxy group. It is the most abundant carcinogen in tobacco smoke.. aldehyde : A compound RC(=O)H, in which a carbonyl group is bonded to one hydrogen atom and to one R group.. acetyl group : A group, formally derived from acetic acid by dehydroxylation, which is fundamental to the biochemistry of all forms of life. When bound to coenzyme A, it is central to the metabolism of carbohydrates and fats.		7.17260aldehydecarcinogenic agent;
EC 3.5.1.4 (amidase) inhibitor;
electron acceptor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
mutagen;
oxidising agent;
Saccharomyces cerevisiae metabolite;
teratogenic agent
acetamide
acetimidic acid : A carboximidic acid that is acetic acid in which the carbonyl oxygen is replaced by an imino group.		8.8110acetamides;
carboximidic acid;
monocarboxylic acid amide;
N-acylammonia
acetone
methyl ketone : A ketone of formula RC(=O)CH3 (R =/= H).		10.81241ketone body;
methyl ketone;
propanones;
volatile organic compound		EC 3.5.1.4 (amidase) inhibitor;
human metabolite;
polar aprotic solvent
adenine
[no description available]		5.21606-aminopurines;
purine nucleobase		Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
ammonium hydroxide
azane : Saturated acyclic nitrogen hydrides having the general formula NnHn+2.		4.96380azane;
gas molecular entity;
mononuclear parent hydride		EC 3.5.1.4 (amidase) inhibitor;
metabolite;
mouse metabolite;
neurotoxin;
NMR chemical shift reference compound;
nucleophilic reagent;
refrigerant
anthranilic acid
anthranilic acid: RN given refers to parent cpd; structure in Negwer, 5th ed, #565. anthranilic acid : An aminobenzoic acid that is benzoic acid having a single amino substituent located at position 2. It is a metabolite produced in L-tryptophan-kynurenine pathway in the central nervous system.		2.8640aminobenzoic acidhuman metabolite;
mouse metabolite
arsenic acid
arsenic acid: RN given refers to orthoarsenic acid(H3AsO4); see also sodium arsenate. arsenic acid : An arsenic oxoacid comprising one oxo group and three hydroxy groups attached to a central arsenic atom.		2.0810arsenic oxoacidEscherichia coli metabolite
quinacrine
Quinacrine: An acridine derivative formerly widely used as an antimalarial but superseded by chloroquine in recent years. It has also been used as an anthelmintic and in the treatment of giardiasis and malignant effusions. It is used in cell biological experiments as an inhibitor of phospholipase A2.. quinacrine : A member of the class of acridines that is acridine substituted by a chloro group at position 6, a methoxy group at position 2 and a [5-(diethylamino)pentan-2-yl]nitrilo group at position 9.		2.3520acridines;
aromatic ether;
organochlorine compound;
tertiary amino compound		antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
benzaldehyde
[no description available]		4.05140benzaldehydesEC 3.1.1.3 (triacylglycerol lipase) inhibitor;
EC 3.5.5.1 (nitrilase) inhibitor;
flavouring agent;
fragrance;
odorant receptor agonist;
plant metabolite
benzoic acid
Benzoic Acid: A fungistatic compound that is widely used as a food preservative. It is conjugated to GLYCINE in the liver and excreted as hippuric acid.. benzoic acid : A compound comprising a benzene ring core carrying a carboxylic acid substituent.. aromatic carboxylic acid : Any carboxylic acid in which the carboxy group is directly bonded to an aromatic ring.		5.6230benzoic acidsalgal metabolite;
antimicrobial food preservative;
drug allergen;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
human xenobiotic metabolite;
plant metabolite
benzyl alcohol
Benzyl Alcohol: A colorless liquid with a sharp burning taste and slight odor. It is used as a local anesthetic and to reduce pain associated with LIDOCAINE injection. Also, it is used in the manufacture of other benzyl compounds, as a pharmaceutic aid, and in perfumery and flavoring.. hydroxytoluene : Any member of the class of toluenes carrying one or more hydroxy substituents.. benzyl alcohol : An aromatic alcohol that consists of benzene bearing a single hydroxymethyl substituent.. aromatic alcohol : Any alcohol in which the alcoholic hydroxy group is attached to a carbon which is itself bonded to an aromatic ring.. aromatic primary alcohol : Any primary alcohol in which the alcoholic hydroxy group is attached to a carbon which is itself bonded to an aromatic ring.		4.96120benzyl alcoholsantioxidant;
fragrance;
metabolite;
solvent
betaine
glycine betaine : The amino acid betaine derived from glycine.		2.940amino-acid betaine;
glycine derivative		fundamental metabolite
bromide
Bromides: Salts of hydrobromic acid, HBr, with the bromine atom in the 1- oxidation state. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed)		4.32200halide anion;
monoatomic bromine
butyraldehyde
[no description available]		2.1310butanalsbiomarker;
Escherichia coli metabolite;
mouse metabolite
2,3-butylene glycol
2,3-butylene glycol: RN given refers to cpd without isomeric designation. butane-2,3-diol : A butanediol in which hydroxylation is at C-2 and C-3.		1.9510butanediol;
glycol;
secondary alcohol
1-butanol
1-Butanol: A four carbon linear hydrocarbon that has a hydroxy group at position 1.. butan-1-ol : A primary alcohol that is butane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It it produced in small amounts in humans by the gut microbes.		5.65250alkyl alcohol;
primary alcohol;
short-chain primary fatty alcohol		human metabolite;
mouse metabolite;
protic solvent
butyric acid
Butyric Acid: A four carbon acid, CH3CH2CH2COOH, with an unpleasant odor that occurs in butter and animal fat as the glycerol ester.. butyrate : A short-chain fatty acid anion that is the conjugate base of butyric acid, obtained by deprotonation of the carboxy group.. butyric acid : A straight-chain saturated fatty acid that is butane in which one of the terminal methyl groups has been oxidised to a carboxy group.		7.6530fatty acid 4:0;
straight-chain saturated fatty acid		human urinary metabolite;
Mycoplasma genitalium metabolite
carbamates
[no description available]		4.07150amino-acid anion
carbon monoxide
Carbon Monoxide: Carbon monoxide (CO). A poisonous colorless, odorless, tasteless gas. It combines with hemoglobin to form carboxyhemoglobin, which has no oxygen carrying capacity. The resultant oxygen deprivation causes headache, dizziness, decreased pulse and respiratory rates, unconsciousness, and death. (From Merck Index, 11th ed). carbon monoxide : A one-carbon compound in which the carbon is joined only to a single oxygen. It is a colourless, odourless, tasteless, toxic gas.		11.13803carbon oxide;
gas molecular entity;
one-carbon compound		biomarker;
EC 1.9.3.1 (cytochrome c oxidase) inhibitor;
human metabolite;
ligand;
metabolite;
mitochondrial respiratory-chain inhibitor;
mouse metabolite;
neurotoxin;
neurotransmitter;
P450 inhibitor;
probe;
signalling molecule;
vasodilator agent
formic acid
formic acid: RN given refers to parent cpd. formic acid : The simplest carboxylic acid, containing a single carbon. Occurs naturally in various sources including the venom of bee and ant stings, and is a useful organic synthetic reagent. Principally used as a preservative and antibacterial agent in livestock feed. Induces severe metabolic acidosis and ocular injury in human subjects.		3.1850monocarboxylic acidantibacterial agent;
astringent;
metabolite;
protic solvent;
solvent
catechol
[no description available]		6.67710catecholsallelochemical;
genotoxin;
plant metabolite
methane
Methane: The simplest saturated hydrocarbon. It is a colorless, flammable gas, slightly soluble in water. It is one of the chief constituents of natural gas and is formed in the decomposition of organic matter. (Grant & Hackh's Chemical Dictionary, 5th ed). methane : A one-carbon compound in which the carbon is attached by single bonds to four hydrogen atoms. It is a colourless, odourless, non-toxic but flammable gas (b.p. -161degreeC).		8.491400alkane;
gas molecular entity;
mononuclear parent hydride;
one-carbon compound		bacterial metabolite;
fossil fuel;
greenhouse gas
chlordecone
[no description available]		3.0610cyclic ketone;
organochlorine compound		insecticide;
persistent organic pollutant
chloroacetic acid
chloroacetic acid: urinary metabolite of vinyl chloride; RN given refers to parent cpd; structure. chloroacetic acid : A chlorocarboxylic acid that is acetic acid carrying a 2-chloro substituent.		2.3820chlorocarboxylic acid;
haloacetic acid		alkylating agent;
herbicide
choline
[no description available]		8.3370cholinesallergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter;
nutrient;
plant metabolite;
Saccharomyces cerevisiae metabolite
citric acid, anhydrous
Citric Acid: A key intermediate in metabolism. It is an acid compound found in citrus fruits. The salts of citric acid (citrates) can be used as anticoagulants due to their calcium chelating ability.. citric acid : A tricarboxylic acid that is propane-1,2,3-tricarboxylic acid bearing a hydroxy substituent at position 2. It is an important metabolite in the pathway of all aerobic organisms.		2.0510tricarboxylic acidantimicrobial agent;
chelator;
food acidity regulator;
fundamental metabolite
chlorine
chloride : A halide anion formed when chlorine picks up an electron to form an an anion.		5.23510halide anion;
monoatomic chlorine		cofactor;
Escherichia coli metabolite;
human metabolite
hydrochloric acid
Hydrochloric Acid: A strong corrosive acid that is commonly used as a laboratory reagent. It is formed by dissolving hydrogen chloride in water. GASTRIC ACID is the hydrochloric acid component of GASTRIC JUICE.. hydrogen chloride : A mononuclear parent hydride consisting of covalently bonded hydrogen and chlorine atoms.		5.25170chlorine molecular entity;
gas molecular entity;
hydrogen halide;
mononuclear parent hydride		mouse metabolite
coumarin
2H-chromen-2-one: coumarin derivative		2.520coumarinsfluorescent dye;
human metabolite;
plant metabolite
2-cresol
2-cresol: RN given refers to parent cpd. o-cresol : A cresol that is phenol substituted by a methyl group at position 2. It is a minor urinary metabolite of toluene.		4.81100cresolhuman xenobiotic metabolite
salicylic acid
Scalp: The outer covering of the calvaria. It is composed of several layers: SKIN; subcutaneous connective tissue; the occipitofrontal muscle which includes the tendinous galea aponeurotica; loose connective tissue; and the pericranium (the PERIOSTEUM of the SKULL).		3.580monohydroxybenzoic acidalgal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite
3-methylcatechol
3-methylbenzene-1,2-diol: structure in first source. dihydroxytoluene : Any hydroxytoluene that has two hydroxy substituents. 3-methylcatechol : A methylcatechol carrying a methyl substituent at position 3. It is a xenobiotic metabolite produced by some bacteria capable of degrading nitroaromatic compounds present in pesticide-contaminated soil samples.		210methylcatecholbacterial xenobiotic metabolite
3-cresol
3-cresol: RN given refers to parent cpd. m-cresol : A cresol with the methyl substituent at position 3. It is a minor urinary metabolite of toluene.		4.1950cresolhuman xenobiotic metabolite
octane
Octanes: Eight-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives.. octane : A straight chain alkane composed of 8 carbon atoms.		10.6130alkanexenobiotic
phloroglucinol
Phloroglucinol: A trinitrobenzene derivative with antispasmodic properties that is used primarily as a laboratory reagent.. phloroglucinol : A benzenetriol with hydroxy groups at position 1, 3 and 5.		9.1850benzenetriol;
phenolic donor		algal metabolite
4-methylumbelliferyl acetate
4-methylumbelliferyl acetate : An acetate ester consiting of umbelliferone carrying a 7-O-acetyl group.		210acetate ester;
coumarins		plant metabolite
gallic acid
gallate : A trihydroxybenzoate that is the conjugate base of gallic acid.		2.830trihydroxybenzoic acidantineoplastic agent;
antioxidant;
apoptosis inducer;
astringent;
cyclooxygenase 2 inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
geroprotector;
human xenobiotic metabolite;
plant metabolite
hydrogen sulfide
Hydrogen Sulfide: A flammable, poisonous gas with a characteristic odor of rotten eggs. It is used in the manufacture of chemicals, in metallurgy, and as an analytical reagent. (From Merck Index, 11th ed). hydrogen sulfide : A sulfur hydride consisting of a single sulfur atom bonded to two hydrogen atoms. A highly poisonous, flammable gas with a characteristic odour of rotten eggs, it is often produced by bacterial decomposition of organic matter in the absence of oxygen.. thiol : An organosulfur compound in which a thiol group, -SH, is attached to a carbon atom of any aliphatic or aromatic moiety.		4.97120gas molecular entity;
hydracid;
mononuclear parent hydride;
sulfur hydride		Escherichia coli metabolite;
genotoxin;
metabolite;
signalling molecule;
toxin;
vasodilator agent
4-aminophenol
4-aminophenol: RN given refers to parent cpd. 4-aminophenol : An amino phenol (one of the three possible isomers) which has the single amino substituent located para to the phenolic -OH group.		2.610aminophenolallergen;
metabolite
dihydrolipoic acid
dihydrolipoic acid: RN given refers to parent cpd without isomeric designation. dihydrolipoic acid : A thio-fatty acid that is reduced form of lipoic acid. A potent antioxidant shown to directly destroy superoxide, hydroperoxy and hydroxyl radicals; also has neuroprotective and anti-tumour effects.. dihydrolipoate : The conjugate base of dihydrolipoic acid.		1.9810thio-fatty acidantioxidant;
human metabolite;
neuroprotective agent
guaiacol
Guaiacol: An agent thought to have disinfectant properties and used as an expectorant. (From Martindale, The Extra Pharmacopoeia, 30th ed, p747). methylcatechol : Any member of the class of catechols carrying one or more methyl substituents.. guaiacol : A monomethoxybenzene that consists of phenol with a methoxy substituent at the ortho position.		3.690guaiacolsdisinfectant;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
expectorant;
plant metabolite
hippuric acid
hippuric acid: RN given refers to parent cpd; structure in Merck Index, 9th ed, #4591. N-benzoylglycine : An N-acylglycine in which the acyl group is specified as benzoyl.		5.19150N-acylglycinehuman blood serum metabolite;
uremic toxin
methylmalonic acid
Methylmalonic Acid: A malonic acid derivative which is a vital intermediate in the metabolism of fat and protein. Abnormalities in methylmalonic acid metabolism lead to methylmalonic aciduria. This metabolic disease is attributed to a block in the enzymatic conversion of methylmalonyl CoA to succinyl CoA.. methylmalonic acid : A dicarboxylic acid that is malonic acid in which one of the methylene hydrogens is substituted by a methyl group.		2.610C4-dicarboxylic acidhuman metabolite
malic acid
malic acid : A 2-hydroxydicarboxylic acid that is succinic acid in which one of the hydrogens attached to a carbon is replaced by a hydroxy group.. 2-hydroxydicarboxylic acid : Any dicarboxylic acid carrying a hydroxy group on the carbon atom at position alpha to the carboxy group.		2.49202-hydroxydicarboxylic acid;
C4-dicarboxylic acid		food acidity regulator;
fundamental metabolite
propionaldehyde
propionaldehyde: may cause respiratory irritation; RN given refers to parent cpd; structure. propanal : An aldehyde that consists of ethane bearing a formyl substituent. The parent of the class of propanals.		210alpha-CH2-containing aldehyde;
propanals		Escherichia coli metabolite
dibenzofuran
Dibenzofurans: Compounds that include the structure of dibenzofuran.. dibenzofurans : Any organic heterotricyclic compound based on a dibenzofuran skeleton and its substituted derivatives thereof.. dibenzofuran : A mancude organic heterotricyclic parent that consists of a furan ring flanked by two benzene rings ortho-fused across the 2,3- and 4,5-positions.		3.74100dibenzofurans;
mancude organic heterotricyclic parent;
polycyclic heteroarene		xenobiotic
creatine
[no description available]		2.0310glycine derivative;
guanidines;
zwitterion		geroprotector;
human metabolite;
mouse metabolite;
neuroprotective agent;
nutraceutical
cytosine
[no description available]		3.89120aminopyrimidine;
pyrimidine nucleobase;
pyrimidone		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
alanine
[no description available]		210alpha-amino acid;
amino acid zwitterion		fundamental metabolite
lactic acid
Lactic Acid: A normal intermediate in the fermentation (oxidation, metabolism) of sugar. The concentrated form is used internally to prevent gastrointestinal fermentation. (From Stedman, 26th ed). 2-hydroxypropanoic acid : A 2-hydroxy monocarboxylic acid that is propanoic acid in which one of the alpha-hydrogens is replaced by a hydroxy group.		2.49202-hydroxy monocarboxylic acidalgal metabolite;
Daphnia magna metabolite
diacetyl
butane-2,3-dione : An alpha-diketone that is butane substituted by oxo groups at positions 2 and 3. It is a metabolite produced during the malolactic fermentation.		7.9240alpha-diketoneEscherichia coli metabolite;
Saccharomyces cerevisiae metabolite
dimethyl sulfoxide
Dimethyl Sulfoxide: A highly polar organic liquid, that is used widely as a chemical solvent. Because of its ability to penetrate biological membranes, it is used as a vehicle for topical application of pharmaceuticals. It is also used to protect tissue during CRYOPRESERVATION. Dimethyl sulfoxide shows a range of pharmacological activity including analgesia and anti-inflammation.. dimethyl sulfoxide : A 2-carbon sulfoxide in which the sulfur atom has two methyl substituents.		4.65280sulfoxide;
volatile organic compound		alkylating agent;
antidote;
Escherichia coli metabolite;
geroprotector;
MRI contrast agent;
non-narcotic analgesic;
polar aprotic solvent;
radical scavenger
ethanolamine
[no description available]		2.520ethanolamines;
primary alcohol;
primary amine		Escherichia coli metabolite;
human metabolite;
mouse metabolite
formaldehyde
paraform: polymerized formaldehyde; RN given refers to parent cpd; used in root canal therapy		10.431291aldehyde;
one-carbon compound		allergen;
carcinogenic agent;
disinfectant;
EC 3.5.1.4 (amidase) inhibitor;
environmental contaminant;
Escherichia coli metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
formamide
formimidic acid : A carboximidic acid that is formic acid in which the carbonyl oxygen is replaced by an imino group.. primary carboxamide : A carboxamide resulting from the formal condensation of a carboxylic acid with ammonia; formula RC(=O)NH2.		7.9440carboximidic acid;
formamides;
monocarboxylic acid amide;
one-carbon compound		solvent
hexachlorocyclohexane
Lindane: An organochlorine insecticide made up of greater than 99% gamma-Hexachlorocyclohexane. It has been used as a pediculicide and scabicide, and shown to cause cancer.. beta-hexachlorocyclohexane : The beta-isomer of hexachlorocyclohexane.		7.4620chlorocyclohexane
glutaric acid
glutaric acid: RN given refers to parent cpd. glutaric acid : An alpha,omega-dicarboxylic acid that is a linear five-carbon dicarboxylic acid.		6.9410alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid		Daphnia magna metabolite;
human metabolite
glycine
[no description available]		4.15160alpha-amino acid;
amino acid zwitterion;
proteinogenic amino acid;
serine family amino acid		EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor;
fundamental metabolite;
hepatoprotective agent;
micronutrient;
neurotransmitter;
NMDA receptor agonist;
nutraceutical
glyceraldehyde
Glyceraldehyde: An aldotriose containing the propionaldehyde structure with hydroxy groups at the 2- and 3-positions. It is involved in the formation of ADVANCED GLYCOSYLATION END PRODUCTS.. glyceraldehyde : An aldotriose comprising propanal having hydroxy groups at the 2- and 3-positions. It plays role in the formation of advanced glycation end-products (AGEs), a deleterious accompaniment to ageing.. aldose : Aldehydic parent sugars (polyhydroxy aldehydes H[CH(OH)]nC(=O)H, n >= 2) and their intramolecular hemiacetals.		6.9410aldotriosefundamental metabolite
glycerol
Moon: The natural satellite of the planet Earth. It includes the lunar cycles or phases, the lunar month, lunar landscapes, geography, and soil.		3.5890alditol;
triol		algal metabolite;
detergent;
Escherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
solvent
carbonic acid
Carbonic Acid: Carbonic acid (H2C03). The hypothetical acid of carbon dioxide and water. It exists only in the form of its salts (carbonates), acid salts (hydrogen carbonates), amines (carbamic acid), and acid chlorides (carbonyl chloride). (From Grant & Hackh's Chemical Dictionary, 5th ed)		3.0510carbon oxoacid;
chalcocarbonic acid		mouse metabolite
hydrogen cyanide
Hydrogen Cyanide: Hydrogen cyanide (HCN); A toxic liquid or colorless gas. It is found in the smoke of various tobacco products and released by combustion of nitrogen-containing organic materials.. hydrogen cyanide : A one-carbon compound consisting of a methine group triple bonded to a nitrogen atom		4.04140hydracid;
one-carbon compound		Escherichia coli metabolite;
human metabolite;
poison
hydrogen carbonate
Bicarbonates: Inorganic salts that contain the -HCO3 radical. They are an important factor in determining the pH of the blood and the concentration of bicarbonate ions is regulated by the kidney. Levels in the blood are an index of the alkali reserve or buffering capacity.. hydrogencarbonate : The carbon oxoanion resulting from the removal of a proton from carbonic acid.		3.2260carbon oxoanioncofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
histamine
[no description available]		3.3370aralkylamino compound;
imidazoles		human metabolite;
mouse metabolite;
neurotransmitter
homogentisic acid
Homogentisic Acid: Dihydroxyphenylacetic acid with hydroxyls at the 2 and 5 positions of the phenyl ring.. homogentisic acid : A dihydroxyphenylacetic acid having the two hydroxy substituents at the 2- and 5-positions.		2.3720dihydroxyphenylacetic acid;
hydroquinones		human metabolite;
plant metabolite
hydrogen
Hydrogen: The first chemical element in the periodic table with atomic symbol H, and atomic number 1. Protium (atomic weight 1) is by far the most common hydrogen isotope. Hydrogen also exists as the stable isotope DEUTERIUM (atomic weight 2) and the radioactive isotope TRITIUM (atomic weight 3). Hydrogen forms into a diatomic molecule at room temperature and appears as a highly flammable colorless and odorless gas.. dihydrogen : An elemental molecule consisting of two hydrogens joined by a single bond.		7.381390elemental hydrogen;
elemental molecule;
gas molecular entity		antioxidant;
electron donor;
food packaging gas;
fuel;
human metabolite
hydroquinone
[no description available]		8.911530benzenediol;
hydroquinones		antioxidant;
carcinogenic agent;
cofactor;
Escherichia coli metabolite;
human xenobiotic metabolite;
mouse metabolite;
skin lightening agent
imidazole
imidazole: RN given refers to parent cpd. 1H-imidazole : An imidazole tautomer which has the migrating hydrogen at position 1.		5.49200imidazole
indole
[no description available]		4.26180indole;
polycyclic heteroarene		Escherichia coli metabolite
indoleacetic acid
indoleacetic acid: RN given refers to unlabeled parent cpd; structure in Merck Index, 9th ed, #4841. auxin : Any of a group of compounds, both naturally occurring and synthetic, that induce cell elongation in plant stems (from Greek alphaupsilonxialphanuomega, "to grow").. indole-3-acetic acid : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by a 1H-indol-3-yl group.		2.1310indole-3-acetic acids;
monocarboxylic acid		auxin;
human metabolite;
mouse metabolite;
plant hormone;
plant metabolite
iodine
Iodine: A nonmetallic element of the halogen group that is represented by the atomic symbol I, atomic number 53, and atomic weight of 126.90. It is a nutritionally essential element, especially important in thyroid hormone synthesis. In solution, it has anti-infective properties and is used topically.. diiodine : Molecule comprising two covalently bonded iodine atoms with overall zero charge..		4.74310diatomic iodinenutrient
dihydroxyphenylalanine
Dihydroxyphenylalanine: A beta-hydroxylated derivative of phenylalanine. The D-form of dihydroxyphenylalanine has less physiologic activity than the L-form and is commonly used experimentally to determine whether the pharmacological effects of LEVODOPA are stereospecific.. dopa : A hydroxyphenylalanine carrying hydroxy substituents at positions 3 and 4 of the benzene ring.		2.3720hydroxyphenylalanine;
non-proteinogenic alpha-amino acid;
tyrosine derivative		human metabolite
kynurenine
Kynurenine: A metabolite of the essential amino acid tryptophan metabolized via the tryptophan-kynurenine pathway.. kynurenine : A ketone that is alanine in which one of the methyl hydrogens is substituted by a 2-aminobenzoyl group.		1.9410aromatic ketone;
non-proteinogenic alpha-amino acid;
substituted aniline		human metabolite
thioctic acid
Thioctic Acid: An octanoic acid bridged with two sulfurs so that it is sometimes also called a pentanoic acid in some naming schemes. It is biosynthesized by cleavage of LINOLEIC ACID and is a coenzyme of oxoglutarate dehydrogenase (KETOGLUTARATE DEHYDROGENASE COMPLEX). It is used in DIETARY SUPPLEMENTS.		2.8940dithiolanes;
heterocyclic fatty acid;
thia fatty acid		fundamental metabolite;
geroprotector
methylmercaptan
methylmercaptan: intermediate in the manufacturing of jet fuels, pesticides, fungicides, plastics, synthesis of methionine; odor may cause nausea; narcotic in high concentrations; depresses urea biosynthesis; RN given refers to parent cpd; structure		2.0810alkanethiolhuman metabolite;
Saccharomyces cerevisiae metabolite
pyruvaldehyde
Pyruvaldehyde: An organic compound used often as a reagent in organic synthesis, as a flavoring agent, and in tanning. It has been demonstrated as an intermediate in the metabolism of acetone and its derivatives in isolated cell preparations, in various culture media, and in vivo in certain animals.. methylglyoxal : A 2-oxo aldehyde derived from propanal.		2.31102-oxo aldehyde;
propanals		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
methanol
Methanol: A colorless, flammable liquid used in the manufacture of FORMALDEHYDE and ACETIC ACID, in chemical synthesis, antifreeze, and as a solvent. Ingestion of methanol is toxic and may cause blindness.. primary alcohol : A primary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it.. methanol : The primary alcohol that is the simplest aliphatic alcohol, comprising a methyl and an alcohol group.		8.811480alkyl alcohol;
one-carbon compound;
primary alcohol;
volatile organic compound		amphiprotic solvent;
Escherichia coli metabolite;
fuel;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite
inositol
Inositol: An isomer of glucose that has traditionally been considered to be a B vitamin although it has an uncertain status as a vitamin and a deficiency syndrome has not been identified in man. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1379) Inositol phospholipids are important in signal transduction.. inositol : Any cyclohexane-1,2,3,4,5,6-hexol.. 1D-chiro-inositol : Belonging to the inositol family of compounds, D-chiro-inositol (DCI) is an isomer of glucose. It is an important secondary messenger in insulin signal transduction.. muco-inositol : An inositol that is cyclohexane-1,2,3,4,5,6-hexol having a (1R,2R,3r,4R,5S,6r)-configuration.		3.0750cyclitol;
hexol
melatonin
[no description available]		2.8130acetamides;
tryptamines		anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger
croton oil
[no description available]		4.2960N-acyl-hexosamine
acetanilide
acetanilide: a phenylacetamide; use ACETANILIDES for the plural group meaning of the singular term. N-phenylacetamide : A member of the class of acetamides that is acetamide in which one of the hydrogens attached to the nitrogen is substituted by a phenyl group.		3.78110acetamides;
anilide		analgesic
naphthalene
[no description available]		8.191050naphthalenes;
ortho-fused bicyclic arene		apoptosis inhibitor;
carcinogenic agent;
environmental contaminant;
mouse metabolite;
plant metabolite;
volatile oil component
nickel
Nickel: A trace element with the atomic symbol Ni, atomic number 28, and atomic weight 58.69. It is a cofactor of the enzyme UREASE.. nickel ion : A nickel atom having a net electric charge.. nickel atom : Chemical element (nickel group element atom) with atomic number 28.		8.17461metal allergen;
nickel group element atom		epitope;
micronutrient
niacinamide
nicotinamide : A pyridinecarboxamide that is pyridine in which the hydrogen at position 3 is replaced by a carboxamide group.		3.0450pyridine alkaloid;
pyridinecarboxamide;
vitamin B3		anti-inflammatory agent;
antioxidant;
cofactor;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
Escherichia coli metabolite;
geroprotector;
human urinary metabolite;
metabolite;
mouse metabolite;
neuroprotective agent;
Saccharomyces cerevisiae metabolite;
Sir2 inhibitor
niacin
Niacin: A water-soluble vitamin of the B complex occurring in various animal and plant tissues. It is required by the body for the formation of coenzymes NAD and NADP. It has PELLAGRA-curative, vasodilating, and antilipemic properties.. vitamin B3 : Any member of a group of vitamers that belong to the chemical structural class called pyridines that exhibit biological activity against vitamin B3 deficiency. Vitamin B3 deficiency causes a condition known as pellagra whose symptoms include depression, dermatitis and diarrhea. The vitamers include nicotinic acid and nicotinamide (and their ionized and salt forms).. nicotinic acid : A pyridinemonocarboxylic acid that is pyridine in which the hydrogen at position 3 is replaced by a carboxy group.		2.6230pyridine alkaloid;
pyridinemonocarboxylic acid;
vitamin B3		antidote;
antilipemic drug;
EC 3.5.1.19 (nicotinamidase) inhibitor;
Escherichia coli metabolite;
human urinary metabolite;
metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent
nitrates
Nitrates: Inorganic or organic salts and esters of nitric acid. These compounds contain the NO3- radical.		11.71710monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species
nitric acid
Nitric Acid: Nitric acid (HNO3). A colorless liquid that is used in the manufacture of inorganic and organic nitrates and nitro compounds for fertilizers, dye intermediates, explosives, and many different organic chemicals. Continued exposure to vapor may cause chronic bronchitis; chemical pneumonitis may occur. (From Merck Index, 11th ed). nitric acid : A nitrogen oxoacid of formula HNO3 in which the nitrogen atom is bonded to a hydroxy group and by equivalent bonds to the remaining two oxygen atoms.		2.9440nitrogen oxoacidprotic solvent;
reagent
nitroxyl
nitroxyl: hydroxamic acid oxidized to nitroxyl free radical. nitroxyl : A nitrogen oxoacid consisting of an oxygen atom double-bonded to an NH group.		5.2931nitrogen oxoacid
nitrites
Nitrites: Salts of nitrous acid or compounds containing the group NO2-. The inorganic nitrites of the type MNO2 (where M=metal) are all insoluble, except the alkali nitrites. The organic nitrites may be isomeric, but not identical with the corresponding nitro compounds. (Grant & Hackh's Chemical Dictionary, 5th ed)		10.44200monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species		human metabolite
nitrous oxide
Nitrous Oxide: Nitrogen oxide (N2O). A colorless, odorless gas that is used as an anesthetic and analgesic. High concentrations cause a narcotic effect and may replace oxygen, causing death by asphyxia. It is also used as a food aerosol in the preparation of whipping cream.. dinitrogen oxide : A nitrogen oxide consisting of linear unsymmetrical molecules with formula N2O. While it is the most used gaseous anaesthetic in the world, its major commercial use, due to its solubility under pressure in vegetable fats combined with its non-toxicity in low concentrations, is as an aerosol spray propellant and aerating agent for canisters of 'whipped' cream.		8.4980gas molecular entity;
nitrogen oxide		analgesic;
bacterial metabolite;
food packaging gas;
food propellant;
general anaesthetic;
greenhouse gas;
inhalation anaesthetic;
NMDA receptor antagonist;
raising agent;
refrigerant;
vasodilator agent
n,n-dimethylaniline
N,N-dimethylaniline: RN given refers to parent cpd; structure. dimethylaniline : A methylaniline carrying at least two methyl groups.. N,N-dimethylaniline : A tertiary amine that is aniline in which the amino hydrogens are replaced by two methyl groups.		8.2560dimethylaniline;
tertiary amine
1-octanol
1-Octanol: A colorless, slightly viscous liquid used as a defoaming or wetting agent. It is also used as a solvent for protective coatings, waxes, and oils, and as a raw material for plasticizers. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed). octan-1-ol : An octanol carrying the hydroxy group at position 1.		4.3660octanol;
primary alcohol		antifungal agent;
bacterial metabolite;
fuel additive;
kairomone;
plant metabolite
hydroxide ion
[no description available]		2.9440oxygen hydridemouse metabolite
orotic acid
Orotic Acid: An intermediate product in PYRIMIDINE synthesis which plays a role in chemical conversions between DIHYDROFOLATE and TETRAHYDROFOLATE.. orotic acid : A pyrimidinemonocarboxylic acid that is uracil bearing a carboxy substituent at position C-6.		2.3820pyrimidinemonocarboxylic acidEscherichia coli metabolite;
metabolite;
mouse metabolite
oxalic acid
Oxalic Acid: A strong dicarboxylic acid occurring in many plants and vegetables. It is produced in the body by metabolism of glyoxylic acid or ascorbic acid. It is not metabolized but excreted in the urine. It is used as an analytical reagent and general reducing agent.. oxalic acid : An alpha,omega-dicarboxylic acid that is ethane substituted by carboxyl groups at positions 1 and 2.		3.0340alpha,omega-dicarboxylic acidalgal metabolite;
human metabolite;
plant metabolite
4-aminobenzoic acid
4-Aminobenzoic Acid: An aminobenzoic acid isomer that combines with pteridine and GLUTAMIC ACID to form FOLIC ACID. The fact that 4-aminobenzoic acid absorbs light throughout the UVB range has also resulted in its use as an ingredient in SUNSCREENS.. 4-ammoniobenzoate : A zwitterion obtained by transfer of a proton from the carboxy to the amino group of 4-aminobenzoic acid.. 4-aminobenzoic acid : An aminobenzoic acid in which the amino group is para to the carboxy group.		2.6730aminobenzoic acid;
aromatic amino-acid zwitterion		allergen;
Escherichia coli metabolite;
plant metabolite
4-nitrophenol
4-nitrophenol: RN given refers to parent cpd. mononitrophenol : A nitrophenol that is phenol carrying a single nitro substituent at unspecified position.. 4-nitrophenol : A member of the class of 4-nitrophenols that is phenol in which the hydrogen that is para to the hydroxy group has been replaced by a nitro group.		4.5704-nitrophenolshuman xenobiotic metabolite;
mouse metabolite
palmitic acid
Palmitic Acid: A common saturated fatty acid found in fats and waxes including olive oil, palm oil, and body lipids.. hexadecanoic acid : A straight-chain, sixteen-carbon, saturated long-chain fatty acid.		7.6530long-chain fatty acid;
straight-chain saturated fatty acid		algal metabolite;
Daphnia magna metabolite;
EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor;
plant metabolite
parathion
[no description available]		4.360C-nitro compound;
organic thiophosphate;
organothiophosphate insecticide		acaricide;
agrochemical;
avicide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
mouse metabolite
pentachlorophenol
PENTA: structure given in first source		3.7630aromatic fungicide;
chlorophenol;
organochlorine pesticide;
pentachlorobenzenes		human xenobiotic metabolite
phenanthrene
phenanthrene : A polycyclic aromatic hydrocarbon composed of three fused benzene rings which takes its name from the two terms 'phenyl' and 'anthracene.'		6.24260ortho-fused polycyclic arene;
ortho-fused tricyclic hydrocarbon;
phenanthrenes		environmental contaminant;
mouse metabolite
phenol
[no description available]		10.672241phenolsantiseptic drug;
disinfectant;
human xenobiotic metabolite;
mouse metabolite
phenylacetic acid
phenylacetic acid : A monocarboxylic acid that is toluene in which one of the hydrogens of the methyl group has been replaced by a carboxy group.		2.9140benzenes;
monocarboxylic acid;
phenylacetic acids		allergen;
Aspergillus metabolite;
auxin;
EC 6.4.1.1 (pyruvate carboxylase) inhibitor;
Escherichia coli metabolite;
human metabolite;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite;
toxin
phenethylamine
phenethylamine: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7016. 2-phenylethylamine : A phenylethylamine having the phenyl substituent at the 2-position.		2.0610alkaloid;
aralkylamine;
phenylethylamine		Escherichia coli metabolite;
human metabolite;
mouse metabolite
phosphoric acid
phosphoric acid: concise etchant is 37% H3PO4. phosphoric acid : A phosphorus oxoacid that consists of one oxo and three hydroxy groups joined covalently to a central phosphorus atom.		2.7830phosphoric acidsalgal metabolite;
fertilizer;
human metabolite;
NMR chemical shift reference compound;
solvent
phthalic acid
phthalic acid: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7178. phthalic acid : A benzenedicarboxylic acid cosisting of two carboxy groups at ortho positions.		4.91110benzenedicarboxylic acidhuman xenobiotic metabolite
picolinic acid
picolinic acid: iron-chelating agent that inhibits DNA synthesis; may interfere with iron-dependent production of stable free organic radical which is essential for ribonucleotide reductase formation of deoxyribonucleotides; RN given refers to parent cpd; structure in Merck Index, 9th ed, #7206. picolinic acid : A pyridinemonocarboxylic acid in which the carboxy group is located at position 2. It is an intermediate in the metabolism of tryptophan.		2.0810pyridinemonocarboxylic acidhuman metabolite;
MALDI matrix material
porphobilinogen
[no description available]		2.3820aralkylamino compound;
dicarboxylic acid;
pyrroles		Escherichia coli metabolite;
metabolite;
mouse metabolite
propylene glycol
Propylene Glycol: A clear, colorless, viscous organic solvent and diluent used in pharmaceutical preparations.. propane-1,2-diol : The simplest member of the class of propane-1,2-diols, consisting of propane in which a hydrogen at position 1 and a hydrogen at position 2 are substituted by hydroxy groups. A colourless, viscous, hygroscopic, low-melting (-59degreeC) and high-boiling (188degreeC) liquid with low toxicity, it is used as a solvent, emulsifying agent, and antifreeze.		2.3720glycol;
propane-1,2-diols		allergen;
human xenobiotic metabolite;
mouse metabolite;
protic solvent
1-propanol
1-Propanol: A colorless liquid made by oxidation of aliphatic hydrocarbons that is used as a solvent and chemical intermediate.. propan-1-ol : The parent member of the class of propan-1-ols that is propane in which a hydrogen of one of the methyl groups is replaced by a hydroxy group.		5.5220propan-1-ols;
short-chain primary fatty alcohol		metabolite;
protic solvent
propionic acid
propionic acid : A short-chain saturated fatty acid comprising ethane attached to the carbon of a carboxy group.		7.730saturated fatty acid;
short-chain fatty acid		antifungal drug
purine
1H-purine : The 1H-tautomer of purine.. 3H-purine : The 3H-tautomer of purine.. 9H-purine : The 9H-tautomer of purine.. 7H-purine : The 7H-tautomer of purine.		3.4720purine
pyrazole
1H-pyrazole : The 1H-tautomer of pyrazole.		7.9340pyrazole
pyridine
azine : An organonitrogen compound of general structure RCH=N-N=CHR or RR'C=N-N=CRR'.		6.6380azaarene;
mancude organic heteromonocyclic parent;
monocyclic heteroarene;
pyridines		environmental contaminant;
NMR chemical shift reference compound
pyridoxal phosphate
Pyridoxal Phosphate: This is the active form of VITAMIN B 6 serving as a coenzyme for synthesis of amino acids, neurotransmitters (serotonin, norepinephrine), sphingolipids, aminolevulinic acid. During transamination of amino acids, pyridoxal phosphate is transiently converted into pyridoxamine phosphate (PYRIDOXAMINE).. pyridoxal 5'-phosphate : The monophosphate ester obtained by condensation of phosphoric acid with the primary hydroxy group of pyridoxal.		2.8640methylpyridines;
monohydroxypyridine;
pyridinecarbaldehyde;
vitamin B6 phosphate		coenzyme;
cofactor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
pyridoxine
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol: structure in first source. vitamin B6 : Any member of the group of pyridines that exhibit biological activity against vitamin B6 deficiency. Vitamin B6 deficiency is associated with microcytic anemia, electroencephalographic abnormalities, dermatitis with cheilosis (scaling on the lips and cracks at the corners of the mouth) and glossitis (swollen tongue), depression and confusion, and weakened immune function. Vitamin B6 consists of the vitamers pyridoxine, pyridoxal, and pyridoxamine and their respective 5'-phosphate esters (and includes their corresponding ionized and salt forms).		4.6590hydroxymethylpyridine;
methylpyridines;
monohydroxypyridine;
vitamin B6		cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
pyrogallol
benzenetriol : A triol in which three hydroxy groups are substituted onto a benzene ring.		4.76100benzenetriol;
phenolic donor		plant metabolite
dimethyl sulfide
dimethyl sulfide: structure. dimethyl sulfide : A methyl sulfide in which the sulfur atom is substituted by two methyl groups. It is produced naturally by some marine algae.. methyl sulfide : Any aliphatic sulfide in which at least one of the organyl groups attached to the sulfur is a methyl group.		4.0450aliphatic sulfidealgal metabolite;
bacterial xenobiotic metabolite;
EC 3.5.1.4 (amidase) inhibitor;
Escherichia coli metabolite;
marine metabolite
thiosulfates
Thiosulfates: Inorganic salts of thiosulfuric acid possessing the general formula R2S2O3.. thiosulfate(2-) : A divalent inorganic anion obtained by removal of both protons from thiosulfuric acid.		2.3420divalent inorganic anion;
sulfur oxide;
sulfur oxoanion		human metabolite
sarcosine
cocobetaine: N-alkyl-betaine; cause of shampoo dermatitis		7.3110N-alkylglycine zwitterion;
N-alkylglycine;
N-methyl-amino acid;
N-methylglycines		Escherichia coli metabolite;
glycine receptor agonist;
glycine transporter 1 inhibitor;
human metabolite;
mouse metabolite
selenic acid
Selenic Acid: A strong dibasic acid with the molecular formula H2SeO4. Included under this heading is the acid form, and inorganic salts of dihydrogen selenium tetraoxide.		2.0610selenium oxoacid
sulfites
Sulfites: Inorganic salts of sulfurous acid.. sulfites : Any sulfurous acid derivative that is a salt or an ester of sulfurous acid.. organosulfonate oxoanion : An organic anion obtained by deprotonation of the sufonate group(s) of any organosulfonic acid.. sulfite : A sulfur oxoanion that is the conjugate base of hydrogen sulfite (H2SO3).		2.6530divalent inorganic anion;
sulfur oxide;
sulfur oxoanion
spermidine
[no description available]		2.0710polyazaalkane;
triamine		autophagy inducer;
fundamental metabolite;
geroprotector
succinic acid
Succinic Acid: A water-soluble, colorless crystal with an acid taste that is used as a chemical intermediate, in medicine, the manufacture of lacquers, and to make perfume esters. It is also used in foods as a sequestrant, buffer, and a neutralizing agent. (Hawley's Condensed Chemical Dictionary, 12th ed, p1099; McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed, p1851). succinic acid : An alpha,omega-dicarboxylic acid resulting from the formal oxidation of each of the terminal methyl groups of butane to the corresponding carboxy group. It is an intermediate metabolite in the citric acid cycle.		5.4841alpha,omega-dicarboxylic acid;
C4-dicarboxylic acid		anti-ulcer drug;
fundamental metabolite;
micronutrient;
nutraceutical;
radiation protective agent
sulfuric acid
sulfuric acid : A sulfur oxoacid that consists of two oxo and two hydroxy groups joined covalently to a central sulfur atom.		3.2360sulfur oxoacidcatalyst
sulfur dioxide
Sulfur Dioxide: A highly toxic, colorless, nonflammable gas. It is used as a pharmaceutical aid and antioxidant. It is also an environmental air pollutant.		7.51370sulfur oxideEscherichia coli metabolite;
food bleaching agent;
refrigerant
taurine
[no description available]		2.3520amino sulfonic acid;
zwitterion		antioxidant;
Escherichia coli metabolite;
glycine receptor agonist;
human metabolite;
mouse metabolite;
nutrient;
radical scavenger;
Saccharomyces cerevisiae metabolite
thiophane
[no description available]		2.0210saturated organic heteromonocyclic parent;
tetrahydrothiophenes
thiamine
thiamine(1+) : A primary alcohol that is 1,3-thiazol-3-ium substituted by (4-amino-2-methylpyrimidin-5-yl)methyl, methyl and 2-hydroxyethyl groups at positions 3, 4 and 5, respectively.		3.1960primary alcohol;
vitamin B1		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
thymine
[no description available]		3.6290pyrimidine nucleobase;
pyrimidone		Escherichia coli metabolite;
human metabolite;
mouse metabolite
toluene
methylbenzene : Any alkylbenzene that is benzene substituted with one or more methyl groups.		17.921,5173methylbenzene;
toluenes;
volatile organic compound		cholinergic antagonist;
fuel additive;
neurotoxin;
non-polar solvent
trimethylamine
[no description available]		8.8940methylamines;
tertiary amine		Escherichia coli metabolite;
human xenobiotic metabolite
tryptamine
[no description available]		7.420aminoalkylindole;
aralkylamino compound;
indole alkaloid;
tryptamines		human metabolite;
mouse metabolite;
plant metabolite
uracil
2,4-dihydroxypyrimidine: a urinary biomarker for bipolar disorder		3.95130pyrimidine nucleobase;
pyrimidone		allergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
prodrug;
Saccharomyces cerevisiae metabolite
uric acid
Uric Acid: An oxidation product, via XANTHINE OXIDASE, of oxypurines such as XANTHINE and HYPOXANTHINE. It is the final oxidation product of purine catabolism in humans and primates, whereas in most other mammals URATE OXIDASE further oxidizes it to ALLANTOIN.. uric acid : An oxopurine that is the final oxidation product of purine metabolism.. 6-hydroxy-1H-purine-2,8(7H,9H)-dione : A tautomer of uric acid having oxo groups at C-2 and C-8 and a hydroxy group at C-6.. 7,9-dihydro-1H-purine-2,6,8(3H)-trione : An oxopurine in which the purine ring is substituted by oxo groups at positions 2, 6, and 8.		5.761uric acidEscherichia coli metabolite;
human metabolite;
mouse metabolite
urea
pseudourea: clinical use; structure. isourea : A carboximidic acid that is the imidic acid tautomer of urea, H2NC(=NH)OH, and its hydrocarbyl derivatives.		7.49231isourea;
monocarboxylic acid amide;
one-carbon compound		Daphnia magna metabolite;
Escherichia coli metabolite;
fertilizer;
flour treatment agent;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
xanthine
7H-xanthine : An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-7 is protonated.. 9H-xanthine : An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-9 is protonated.		210xanthineSaccharomyces cerevisiae metabolite
menthol
Menthol: A monoterpene cyclohexanol produced from mint oils.		2.3820p-menthane monoterpenoid;
secondary alcohol		volatile oil component
mandelic acid
SAMMA: mandelic acid condensation polymer		8.38702-hydroxy monocarboxylic acid;
benzenes		antibacterial agent;
human xenobiotic metabolite
1,10-phenanthroline
1,10-phenanthroline: RN given refers to parent cpd; inhibits Zn-dependent metalloproteinases		340phenanthrolineEC 2.7.1.1 (hexokinase) inhibitor;
EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor
1-anilino-8-naphthalenesulfonate
1-anilino-8-naphthalenesulfonate: RN given refers to parent cpd. 8-anilinonaphthalene-1-sulfonic acid : A naphthalenesulfonic acid that is naphthalene-1-sulfonic acid substituted by a phenylamino group at position 8.		3.0850aminonaphthalene;
naphthalenesulfonic acid		fluorescent probe
14,15-epoxy-5,8,11-eicosatrienoic acid
14,15-epoxy-5,8,11-eicosatrienoic acid: RN given refers to cpd without isomeric designation		2.1510long-chain fatty acid
2,2'-dipyridyl
2,2'-Dipyridyl: A reagent used for the determination of iron.. 2,2'-bipyridine : A bipyridine in which the two pyridine moieties are linked by a bond between positions C-2 and C-2'.		2.0610bipyridinechelator;
ferroptosis inhibitor
2,4,5-trichlorophenoxyacetic acid
2,4,5-Trichlorophenoxyacetic Acid: An herbicide with strong irritant properties. Use of this compound on rice fields, orchards, sugarcane, rangeland, and other noncrop sites was terminated by the EPA in 1985. (From Merck Index, 11th ed). (2,4,5-trichlorophenoxy)acetic acid : A chlorophenoxyacetic acid that is phenoxyacetic acid in which the ring hydrogens at postions 2, 4 and 5 are substituted by chlorines.		2.3720chlorophenoxyacetic acid;
trichlorobenzene		defoliant;
phenoxy herbicide;
synthetic auxin
2,4,6-tribromophenol
[no description available]		2.0210bromophenolenvironmental contaminant;
fungicide;
marine metabolite
2,4-dichlorophenoxyacetic acid
2,4-Dichlorophenoxyacetic Acid: An herbicide with irritant effects on the eye and the gastrointestinal system.. 2,4-D : A chlorophenoxyacetic acid that is phenoxyacetic acid in which the ring hydrogens at postions 2 and 4 are substituted by chlorines.		2.4220chlorophenoxyacetic acid;
dichlorobenzene		agrochemical;
defoliant;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
environmental contaminant;
phenoxy herbicide;
synthetic auxin
2,4-dinitrophenol
2,4-Dinitrophenol: A toxic dye, chemically related to trinitrophenol (picric acid), used in biochemical studies of oxidative processes where it uncouples oxidative phosphorylation. It is also used as a metabolic stimulant. (Stedman, 26th ed). dinitrophenol : Members of the class of nitrophenol carrying two nitro substituents.. 2,4-dinitrophenol : A dinitrophenol having the nitro groups at the 2- and 4-positions.		2.0510dinitrophenolallergen;
antiseptic drug;
bacterial xenobiotic metabolite;
geroprotector;
oxidative phosphorylation inhibitor
mercaptoethanol
Mercaptoethanol: A water-soluble thiol derived from hydrogen sulfide and ethanol. It is used as a reducing agent for disulfide bonds and to protect sulfhydryl groups from oxidation.		2.6930alkanethiol;
primary alcohol		geroprotector
3-methylcholanthrene
Methylcholanthrene: A carcinogen that is often used in experimental cancer studies.. 3-methylcholanthrene : A pentacyclic ortho- and peri-fused polycyclic arene consisting of a dihydrocyclopenta[ij]tetraphene ring system with a methyl substituent at the 3-position.		6.6410ortho- and peri-fused polycyclic arenearyl hydrocarbon receptor agonist;
carcinogenic agent
homovanillic acid
Homovanillic Acid: A 3-O-methyl ETHER of (3,4-dihydroxyphenyl)acetic acid.. homovanillate : A hydroxy monocarboxylic acid anion which is obtained by deprotonation of the carboxy group of homovanillic acid.. homovanillic acid : A monocarboxylic acid that is the 3-O-methyl ether of (3,4-dihydroxyphenyl)acetic acid. It is a catecholamine metabolite.		6.9710guaiacols;
monocarboxylic acid		human metabolite;
mouse metabolite
4-nonylphenol
4-nonylphenol: structure in first source; see also record for nonylphenol. 4-nonylphenol : A member of the class of phenols that is phenol which is para-substituted with a nonyl group.		2.0610phenolsenvironmental contaminant
5,5-dimethyl-1-pyrroline-1-oxide
5,5-dimethyl-1-pyrroline-1-oxide: do not confuse with DMPO (4',5'-dihydroxy-7-methoxy-4-phenyl-5,2'-oxidocoumarin). 5,5-dimethyl-1-pyrroline N-oxide : A member of the class of 1-pyrroline nitrones (1-pyrroline N-oxides) resulting from the formal N-oxidation of 5,5-dimethyl-1-pyrroline. Used as a spin trap for the study of radicals formed by enzymatic acetaldehyde oxidation.		1.98101-pyrroline nitronesneuroprotective agent;
spin trapping reagent
phenytoin
[no description available]		3.5790imidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent
hydroxyindoleacetic acid
(5-hydroxyindol-3-yl)acetic acid : A member of the class of indole-3-acetic acids that is indole-3-acetic acid substituted by a hydroxy group at C-5.		2.3720indole-3-acetic acidsdrug metabolite;
human metabolite;
mouse metabolite
5-methoxytryptamine
5-Methoxytryptamine: Serotonin derivative proposed as potentiator for hypnotics and sedatives.. 5-methoxytryptamine : A member of the class of tryptamines that is the methyl ether derivative of serotonin.		1.9510aromatic ether;
primary amino compound;
tryptamines		5-hydroxytryptamine 2A receptor agonist;
5-hydroxytryptamine 2B receptor agonist;
5-hydroxytryptamine 2C receptor agonist;
antioxidant;
cardioprotective agent;
human metabolite;
mouse metabolite;
neuroprotective agent;
radiation protective agent;
serotonergic agonist
oxyquinoline
Oxyquinoline: An antiseptic with mild fungistatic, bacteriostatic, anthelmintic, and amebicidal action. It is also used as a reagent and metal chelator, as a carrier for radio-indium for diagnostic purposes, and its halogenated derivatives are used in addition as topical anti-infective agents and oral antiamebics.. quinolin-8-ol : A monohydroxyquinoline that is quinoline substituted by a hydroxy group at position 8. Its fungicidal properties are used for the control of grey mould on vines and tomatoes.		2.0310monohydroxyquinolineantibacterial agent;
antifungal agrochemical;
antiseptic drug;
iron chelator
tacrine
Tacrine: A cholinesterase inhibitor that crosses the blood-brain barrier. Tacrine has been used to counter the effects of muscle relaxants, as a respiratory stimulant, and in the treatment of Alzheimer's disease and other central nervous system disorders.. tacrine : A member of the class of acridines that is 1,2,3,4-tetrahydroacridine substituted by an amino group at position 9. It is used in the treatment of Alzheimer's disease.		2.4920acridines;
aromatic amine		EC 3.1.1.7 (acetylcholinesterase) inhibitor
acebutolol
Acebutolol: A cardioselective beta-1 adrenergic antagonist with little effect on the bronchial receptors. The drug has stabilizing and quinidine-like effects on cardiac rhythm, as well as weak inherent sympathomimetic action.. acebutolol : An ether that is the 2-acetyl-4-(butanoylamino)phenyl ether of the primary hydroxy group of 3-(propan-2-ylamino)propane-1,2-diol.		2.0410aromatic amide;
ethanolamines;
ether;
monocarboxylic acid amide;
propanolamine;
secondary amino compound		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympathomimetic agent
acetaminophen
Acetaminophen: Analgesic antipyretic derivative of acetanilide. It has weak anti-inflammatory properties and is used as a common analgesic, but may cause liver, blood cell, and kidney damage.. paracetamol : A member of the class of phenols that is 4-aminophenol in which one of the hydrogens attached to the amino group has been replaced by an acetyl group.		9.680acetamides;
phenols		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
cyclooxygenase 3 inhibitor;
environmental contaminant;
ferroptosis inducer;
geroprotector;
hepatotoxic agent;
human blood serum metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
salophen
salophen: structure given in first source		7.0710carbonyl compound
acetazolamide
Acetazolamide: One of the CARBONIC ANHYDRASE INHIBITORS that is sometimes effective against absence seizures. It is sometimes useful also as an adjunct in the treatment of tonic-clonic, myoclonic, and atonic seizures, particularly in women whose seizures occur or are exacerbated at specific times in the menstrual cycle. However, its usefulness is transient often because of rapid development of tolerance. Its antiepileptic effect may be due to its inhibitory effect on brain carbonic anhydrase, which leads to an increased transneuronal chloride gradient, increased chloride current, and increased inhibition. (From Smith and Reynard, Textbook of Pharmacology, 1991, p337)		2.3420monocarboxylic acid amide;
sulfonamide;
thiadiazoles		anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
acetohexamide
Acetohexamide: A sulfonylurea hypoglycemic agent that is metabolized in the liver to 1-hydrohexamide.. acetohexamide : An N-sulfonylurea that is urea in which a hydrogen attached to one of the nitrogens is replaced by a p-acetylphenylsulfonyl group, while a hydrogen attached to the other nitrogen is replaced by a cyclohexyl group.		2.0510acetophenones;
N-sulfonylurea		hypoglycemic agent;
insulin secretagogue
albendazole
[no description available]		4.811aryl sulfide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester		anthelminthic drug;
microtubule-destabilising agent;
tubulin modulator
albuterol
Albuterol: A short-acting beta-2 adrenergic agonist that is primarily used as a bronchodilator agent to treat ASTHMA. Albuterol is prepared as a racemic mixture of R(-) and S(+) stereoisomers. The stereospecific preparation of R(-) isomer of albuterol is referred to as levalbuterol.. albuterol : A member of the class of phenylethanolamines that is 4-(2-amino-1-hydroxyethyl)-2-(hydroxymethyl)phenol having a tert-butyl group attached to the nirogen atom. It acts as a beta-adrenergic agonist used in the treatment of asthma and chronic obstructive pulmonary disease (COPD).		1.9610phenols;
phenylethanolamines;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic
alprazolam
Alprazolam: A triazolobenzodiazepine compound with antianxiety and sedative-hypnotic actions, that is efficacious in the treatment of PANIC DISORDERS, with or without AGORAPHOBIA, and in generalized ANXIETY DISORDERS. (From AMA Drug Evaluations Annual, 1994, p238). alprazolam : A member of the class of triazolobenzodiazepines that is 4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine carrying methyl, phenyl and chloro substituents at positions 1, 6 and 8 respectively. Alprazolam is only found in individuals that have taken this drug.		2.0410organochlorine compound;
triazolobenzodiazepine		anticonvulsant;
anxiolytic drug;
GABA agonist;
muscle relaxant;
sedative;
xenobiotic
alprenolol
Alprenolol: One of the ADRENERGIC BETA-ANTAGONISTS used as an antihypertensive, anti-anginal, and anti-arrhythmic agent.. alprenolol : A secondary alcohol that is propan-2-ol substituted by a 2-allylphenoxy group at position 1 and an isopropylamino group at position 3. It is a beta-adrenergic antagonist used as a antihypertensive, anti-arrhythmia and a sympatholytic agent.		2.3820secondary alcohol;
secondary amino compound		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
altretamine
Altretamine: A hexamethyl-2,4,6-triamine derivative of 1,3,5-triazine.		1.9510triamino-1,3,5-triazine
amifostine anhydrous
Amifostine: A phosphorothioate proposed as a radiation-protective agent. It causes splenic vasodilation and may block autonomic ganglia.. amifostine : An organic thiophosphate that is the S-phospho derivative of 2-[(3-aminopropyl)amino]ethanethiol. A prodrug for the free thiol, WR-1065, which is used as a cytoprotectant in cancer chemotherapy and radiotherapy.		2.7230diamine;
organic thiophosphate		antioxidant;
prodrug;
radiation protective agent
pimagedine
pimagedine: diamine oxidase & nitric oxide synthase inhibitor; an advanced glycosylation end product inhibitor; used in the treatment of diabetic complications; structure. aminoguanidine : A one-carbon compound whose unique structure renders it capable of acting as a derivative of hydrazine, guanidine or formamide.		2.0710guanidines;
one-carbon compound		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
EC 1.4.3.4 (monoamine oxidase) inhibitor
p-aminohippuric acid
p-Aminohippuric Acid: The glycine amide of 4-aminobenzoic acid. Its sodium salt is used as a diagnostic aid to measure effective renal plasma flow (ERPF) and excretory capacity.. p-aminohippurate : A hippurate that is the conjugate base of p-aminohippuric acid, arising from deprotonation of the carboxy group.. p-aminohippuric acid : An N-acylglycine that is the 4-amino derivative of hippuric acid; used as a diagnostic agent in the measurement of renal plasma flow.		2.4320N-acylglycineDaphnia magna metabolite
theophylline
[no description available]		3.2460dimethylxanthineadenosine receptor antagonist;
anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
drug metabolite;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
fungal metabolite;
human blood serum metabolite;
immunomodulator;
muscle relaxant;
vasodilator agent
amitriptyline
Amitriptyline: Tricyclic antidepressant with anticholinergic and sedative properties. It appears to prevent the re-uptake of norepinephrine and serotonin at nerve terminals, thus potentiating the action of these neurotransmitters. Amitriptyline also appears to antagonize cholinergic and alpha-1 adrenergic responses to bioactive amines.. amitriptyline : An organic tricyclic compound that is 10,11-dihydro-5H-dibenzo[a,d][7]annulene substituted by a 3-(dimethylamino)propylidene group at position 5.		2.3720carbotricyclic compound;
tertiary amine		adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
tropomyosin-related kinase B receptor agonist;
xenobiotic
amobarbital
Amobarbital: A barbiturate with hypnotic and sedative properties (but not antianxiety). Adverse effects are mainly a consequence of dose-related CNS depression and the risk of dependence with continued use is high. (From Martindale, The Extra Pharmacopoeia, 30th ed, p565). amobarbital : A member of the class of barbiturates that is pyrimidine-2,4,6(1H,3H,5H)-trione substituted by a 3-methylbutyl and an ethyl group at position 5. Amobarbital has been shown to exhibit sedative and hypnotic properties.		2.3820barbiturates
anastrozole
[no description available]		2.0410nitrile;
triazoles		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
anthralin
Anthralin: An anthracene derivative that disrupts MITOCHONDRIA function and structure and is used for the treatment of DERMATOSES, especially PSORIASIS. It may cause FOLLICULITIS.. anthralin : An anthracene compound derived by the substitution of -OH groups for hydrogen at C-1 and C-8, and with an oxo group at C-9.		6.9710anthracenesantipsoriatic
antipyrine
Antipyrine: An analgesic and antipyretic that has been given by mouth and as ear drops. Antipyrine is often used in testing the effects of other drugs or diseases on drug-metabolizing enzymes in the liver. (From Martindale, The Extra Pharmacopoeia, 30th ed, p29). antipyrine : A pyrazolone derivative that is 1,2-dihydropyrazol-3-one substituted with methyl groups at N-1 and C-5 and with a phenyl group at N-2.		8.3470pyrazoloneantipyretic;
cyclooxygenase 3 inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
aspirin
Aspirin: The prototypical analgesic used in the treatment of mild to moderate pain. It has anti-inflammatory and antipyretic properties and acts as an inhibitor of cyclooxygenase which results in the inhibition of the biosynthesis of prostaglandins. Aspirin also inhibits platelet aggregation and is used in the prevention of arterial and venous thrombosis. (From Martindale, The Extra Pharmacopoeia, 30th ed, p5). acetylsalicylate : A benzoate that is the conjugate base of acetylsalicylic acid, arising from deprotonation of the carboxy group.. acetylsalicylic acid : A member of the class of benzoic acids that is salicylic acid in which the hydrogen that is attached to the phenolic hydroxy group has been replaced by an acetoxy group. A non-steroidal anti-inflammatory drug with cyclooxygenase inhibitor activity.		5.1990benzoic acids;
phenyl acetates;
salicylates		anticoagulant;
antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
EC 1.1.1.188 (prostaglandin-F synthase) inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
plant activator;
platelet aggregation inhibitor;
prostaglandin antagonist;
teratogenic agent
astemizole
Astemizole: Antihistamine drug now withdrawn from the market in many countries because of rare but potentially fatal side effects.. astemizole : A piperidine compound having a 2-(4-methoxyphenyl)ethyl group at the 1-position and an N-[(4-fluorobenzyl)benzimidazol-2-yl]amino group at the 4-position.		2.0210benzimidazoles;
piperidines		anti-allergic agent;
anticoronaviral agent;
H1-receptor antagonist
atenolol
Atenolol: A cardioselective beta-1 adrenergic blocker possessing properties and potency similar to PROPRANOLOL, but without a negative inotropic effect.. atenolol : An ethanolamine compound having a (4-carbamoylmethylphenoxy)methyl group at the 1-position and an N-isopropyl substituent.		2.7230ethanolamines;
monocarboxylic acid amide;
propanolamine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic
atrazine
[no description available]		2.9640chloro-1,3,5-triazine;
diamino-1,3,5-triazine		environmental contaminant;
herbicide;
xenobiotic
azathioprine
Azathioprine: An immunosuppressive agent used in combination with cyclophosphamide and hydroxychloroquine in the treatment of rheumatoid arthritis. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), this substance has been listed as a known carcinogen. (Merck Index, 11th ed). azathioprine : A thiopurine that is 6-mercaptopurine in which the mercapto hydrogen is replaced by a 1-methyl-4-nitroimidazol-5-yl group. It is a prodrug for mercaptopurine and is used as an immunosuppressant, prescribed for the treatment of inflammatory conditions and after organ transplantation and also for treatment of Crohn's didease and MS.		1.9410aryl sulfide;
C-nitro compound;
imidazoles;
thiopurine		antimetabolite;
antineoplastic agent;
carcinogenic agent;
DNA synthesis inhibitor;
hepatotoxic agent;
immunosuppressive agent;
prodrug
azobenzene
azobenzene: photosensor molecule known to undergo reversible isomerization from trans to cis on illumination with photons of appropriate wavelength; RN given refers to cpd without isomeric designation; structure. (E)-azobenzene : The (E)-isomer of azobenzene.. (Z)-azobenzene : The (Z)-isomer of azobenzene.. azobenzene : A molecule whose structure comprises two phenyl rings linked by a N=N double bond; the parent compound of the azobenzene class of compounds.		6.9210azobenzenes
barbital
5,5-diethylbarbituric acid : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by two ethyl groups. Formerly used as a hypnotic (sleeping aid).		3.150barbituratesdrug allergen
bemegride
Bemegride: A CNS stimulant that is used to induce convulsions in experimental animals. It has also been used as a respiratory stimulant and in the treatment of barbiturate overdose.		1.9410piperidones
bendroflumethiazide
Bendroflumethiazide: A thiazide diuretic with actions and uses similar to those of HYDROCHLOROTHIAZIDE. It has been used in the treatment of familial hyperkalemia, hypertension, edema, and urinary tract disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p810). bendroflumethiazide : A sulfonamide consisting of 7-sulfamoyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide in which the hydrogen at position 6 is substituted by a trifluoromethyl group and that at position 3 is substituted by a benzyl group.		2.0510benzothiadiazine;
sulfonamide		antihypertensive agent;
diuretic
benzamide
benzamide : An aromatic amide that consists of benzene bearing a single carboxamido substituent. The parent of the class of benzamides.		3.0950benzamides
benzamidine
benzamidine: RN given refers to parent cpd. benzamidine : A carboxamidine that is benzene carrying an amidino group.		2.5120benzenes;
carboxamidine		serine protease inhibitor
benzo(a)pyrene
Benzo(a)pyrene: A potent mutagen and carcinogen. It is a public health concern because of its possible effects on industrial workers, as an environmental pollutant, an as a component of tobacco smoke.. benzo[a]pyrene : An ortho- and peri-fused polycyclic arene consisting of five fused benzene rings.		12.27420ortho- and peri-fused polycyclic arenecarcinogenic agent;
mouse metabolite
benzocaine
Benzocaine: A surface anesthetic that acts by preventing transmission of impulses along NERVE FIBERS and at NERVE ENDINGS.. dextran sulfate sodium : An organic sodium salt of dextran sulfate. It induces colitis in mice.. benzocaine : A benzoate ester having 4-aminobenzoic acid as the acid component and ethanol as the alcohol component. A surface anaesthetic, it is used to suppress the gag reflex, and as a lubricant and topical anaesthetic on the larynx, mouth, nasal cavity, respiratory tract, oesophagus, rectum, urinary tract, and vagina.		2.6830benzoate ester;
substituted aniline		allergen;
antipruritic drug;
sensitiser;
topical anaesthetic
bepridil
Bepridil: A long-acting calcium-blocking agent with significant anti-anginal activity. The drug produces significant coronary vasodilation and modest peripheral effects. It has antihypertensive and selective anti-arrhythmia activities and acts as a calmodulin antagonist.. bepridil : A tertiary amine in which the substituents on nitrogen are benzyl, phenyl and 3-(2-methylpropoxy)-2-(pyrrolidin-1-yl)propyl.		1.9910pyrrolidines;
tertiary amine		anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent
berberine
[no description available]		2.0410alkaloid antibiotic;
berberine alkaloid;
botanical anti-fungal agent;
organic heteropentacyclic compound		antilipemic drug;
antineoplastic agent;
antioxidant;
EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor;
EC 1.21.3.3 (reticuline oxidase) inhibitor;
EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor;
EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
EC 3.1.1.4 (phospholipase A2) inhibitor;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
geroprotector;
hypoglycemic agent;
metabolite;
potassium channel blocker
beta-naphthoflavone
beta-Naphthoflavone: A polyaromatic hydrocarbon inducer of P4501A1 and P4501A2 cytochromes. (Proc Soc Exp Biol Med 1994 Dec:207(3):302-308). beta-naphthoflavone : An extended flavonoid resulting from the formal fusion of a benzene ring with the f side of flavone.		2.6630extended flavonoid;
naphtho-gamma-pyrone;
organic heterotricyclic compound		aryl hydrocarbon receptor agonist
betaxolol
[no description available]		2.3920propanolamineantihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
bay h 4502
bifonazole : A racemate comprising equimolar amounts of R- and S-bifonazole. It is a broad spectrum antifungal drug used for the treatment of fungal skin and nail infections.. 1-[biphenyl-4-yl(phenyl)methyl]imidazole : A member of the class of imidazoles carrying an alpha-(biphenyl-4-yl)benzyl substituent at position 1.		210biphenyls;
imidazoles
biperiden
Biperiden: A muscarinic antagonist that has effects in both the central and peripheral nervous systems. It has been used in the treatment of arteriosclerotic, idiopathic, and postencephalitic parkinsonism. It has also been used to alleviate extrapyramidal symptoms induced by phenothiazine derivatives and reserpine.. biperiden : A member of the class of piperidines that is N-propylpiperidine in which the methyl hydrogens have been replaced by hydroxy, phenyl, and 5-norbornen-2-yl groups. A muscarinic antagonist affecting both the central and peripheral nervous systems, it is used in the treatment of all forms of Parkinson's disease.		2.0410piperidines;
tertiary alcohol;
tertiary amino compound		antidote to sarin poisoning;
antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist;
parasympatholytic
bisoprolol
Bisoprolol: A cardioselective beta-1 adrenergic blocker. It is effective in the management of HYPERTENSION and ANGINA PECTORIS.		2.0410secondary alcohol;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
bromazepam
Bromazepam: One of the BENZODIAZEPINES that is used in the treatment of ANXIETY DISORDERS.		210organic molecular entity
busulfan
[no description available]		4.8340methanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent
butamben
butamben: structure. butamben : An amino acid ester resulting from the formal condensation of the carboxy group of 4-aminobenzoic acid with the hydroxy group of butan-1-ol. Its local anaesthetic properties have been used for surface anaesthesia of the skin and mucous membranes, and for relief of pain and itching associated with some anorectal disorders.		2.0510amino acid ester;
benzoate ester;
primary amino compound;
substituted aniline		local anaesthetic
caffeine
[no description available]		4.94120purine alkaloid;
trimethylxanthine		adenosine A2A receptor antagonist;
adenosine receptor antagonist;
adjuvant;
central nervous system stimulant;
diuretic;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
environmental contaminant;
food additive;
fungal metabolite;
geroprotector;
human blood serum metabolite;
mouse metabolite;
mutagen;
plant metabolite;
psychotropic drug;
ryanodine receptor agonist;
xenobiotic
verapamil
Verapamil: A calcium channel blocker that is a class IV anti-arrhythmia agent.. verapamil : A racemate comprising equimolar amounts of dexverapamil and (S)-verapamil. An L-type calcium channel blocker of the phenylalkylamine class, it is used (particularly as the hydrochloride salt) in the treatment of hypertension, angina pectoris and cardiac arrhythmia, and as a preventive medication for migraine.. 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile : A tertiary amino compound that is 3,4-dimethoxyphenylethylamine in which the hydrogens attached to the nitrogen are replaced by a methyl group and a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group.		2.4420aromatic ether;
nitrile;
polyether;
tertiary amino compound
beta-glycerophosphoric acid
beta-glycerophosphoric acid: plays role in mineralization of bone in vitro. glycerol 2-phosphate : A glycerol monophosphate having the phosphate group at the 2-position.		1.9610glycerol monophosphateEscherichia coli metabolite;
plant metabolite
camphor, (+-)-isomer
[no description available]		4.1550bornane monoterpenoid;
cyclic monoterpene ketone		plant metabolite
carbamazepine
Carbamazepine: A dibenzazepine that acts as a sodium channel blocker. It is used as an anticonvulsant for the treatment of grand mal and psychomotor or focal SEIZURES. It may also be used in the management of BIPOLAR DISORDER, and has analgesic properties.. carbamazepine : A dibenzoazepine that is 5H-dibenzo[b,f]azepine carrying a carbamoyl substituent at the azepine nitrogen, used as an anticonvulsant.		2.4420dibenzoazepine;
ureas		analgesic;
anticonvulsant;
antimanic drug;
drug allergen;
EC 3.5.1.98 (histone deacetylase) inhibitor;
environmental contaminant;
glutamate transporter activator;
mitogen;
non-narcotic analgesic;
sodium channel blocker;
xenobiotic
carbamazepine epoxide
carbamazepine epoxide: metabolite of carbamazepine; RN given refers to unlabeled cpd. carbamazepine-10,11-epoxide : An epoxide and metabolite of carbamazepine.		1.9910dibenzoazepine;
epoxide;
ureas		allergen;
drug metabolite;
marine xenobiotic metabolite
carmustine
Carmustine: A cell-cycle phase nonspecific alkylating antineoplastic agent. It is used in the treatment of brain tumors and various other malignant neoplasms. (From Martindale, The Extra Pharmacopoeia, 30th ed, p462) This substance may reasonably be anticipated to be a carcinogen according to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985). (From Merck Index, 11th ed). carmustine : A member of the class of N-nitrosoureas that is 1,3-bis(2-chloroethyl)urea in which one of the nitrogens is substituted by a nitroso group.		3.520N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent
cetyltrimethylammonium ion
Cetrimonium: Cetyltrimethylammonium compound whose salts and derivatives are used primarily as topical antiseptics.. cetyltrimethylammonium ion : A quaternary ammonium ion in which the substituents on nitrogen are one hexadecyl and three methyl groups.		2.4220quaternary ammonium ion
cetylpyridinium
Cetylpyridinium: Cationic bactericidal surfactant used as a topical antiseptic for skin, wounds, mucous membranes, instruments, etc.; and also as a component in mouthwash and lozenges.		2.4420pyridinium ion
chloral hydrate
[no description available]		2.8640aldehyde hydrate;
ethanediol;
organochlorine compound		general anaesthetic;
mouse metabolite;
sedative;
xenobiotic
chlorambucil
Chlorambucil: A nitrogen mustard alkylating agent used as antineoplastic for chronic lymphocytic leukemia, Hodgkin's disease, and others. Although it is less toxic than most other nitrogen mustards, it has been listed as a known carcinogen in the Fourth Annual Report on Carcinogens (NTP 85-002, 1985). (Merck Index, 11th ed). chlorambucil : A monocarboxylic acid that is butanoic acid substituted at position 4 by a 4-[bis(2-chloroethyl)amino]phenyl group. A chemotherapy drug that can be used in combination with the antibody obinutuzumab for the treatment of chronic lymphocytic leukemia.		3.4520aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent
chlordiazepoxide
Chlordiazepoxide: An anxiolytic benzodiazepine derivative with anticonvulsant, sedative, and amnesic properties. It has also been used in the symptomatic treatment of alcohol withdrawal.. chlordiazepoxide : A benzodiazepine that is 3H-1,4-benzodiazepine 4-oxide substituted by a chloro group at position 7, a phenyl group at position 5 and a methylamino group at position 2.		1.9510benzodiazepine
chloroquine
Chloroquine: The prototypical antimalarial agent with a mechanism that is not well understood. It has also been used to treat rheumatoid arthritis, systemic lupus erythematosus, and in the systemic therapy of amebic liver abscesses.. chloroquine : An aminoquinoline that is quinoline which is substituted at position 4 by a [5-(diethylamino)pentan-2-yl]amino group at at position 7 by chlorine. It is used for the treatment of malaria, hepatic amoebiasis, lupus erythematosus, light-sensitive skin eruptions, and rheumatoid arthritis.		5.1421aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug
chlorothiazide
Chlorothiazide: A thiazide diuretic with actions and uses similar to those of HYDROCHLOROTHIAZIDE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p812). thiazide : Heterocyclic compound with sulfur and nitrogen in the ring.. chlorothiazide : 4H-1,2,4-benzothiadiazine 1,1-dioxide in which the hydrogen at position is substituted by chlorine and that at position 7 is substituted by a sulfonamide group. A diuretic, it is used for treatment of oedema and hypertension.		2.3420benzothiadiazineantihypertensive agent;
diuretic
chlorpheniramine
Chlorpheniramine: A histamine H1 antagonist used in allergic reactions, hay fever, rhinitis, urticaria, and asthma. It has also been used in veterinary applications. One of the most widely used of the classical antihistaminics, it generally causes less drowsiness and sedation than PROMETHAZINE.. chlorphenamine : A tertiary amino compound that is propylamine which is substituted at position 3 by a pyridin-2-yl group and a p-chlorophenyl group and in which the hydrogens attached to the nitrogen are replaced by methyl groups. A histamine H1 antagonist, it is used to relieve the symptoms of hay fever, rhinitis, urticaria, and asthma.		2.3820monochlorobenzenes;
pyridines;
tertiary amino compound		anti-allergic agent;
antidepressant;
antipruritic drug;
H1-receptor antagonist;
histamine antagonist;
serotonin uptake inhibitor
chlorpromazine
Chlorpromazine: The prototypical phenothiazine antipsychotic drug. Like the other drugs in this class chlorpromazine's antipsychotic actions are thought to be due to long-term adaptation by the brain to blocking DOPAMINE RECEPTORS. Chlorpromazine has several other actions and therapeutic uses, including as an antiemetic and in the treatment of intractable hiccup.. chlorpromazine : A substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropanamine moiety.		10.13150organochlorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug
chlorpropamide
Chlorpropamide: A sulfonylurea hypoglycemic agent used in the treatment of non-insulin-dependent diabetes mellitus not responding to dietary modification. (From Martindale, The Extra Pharmacopoeia, 30th ed, p277). chlorpropamide : An N-sulfonylurea that is urea in which a hydrogen attached to one of the nitrogens is substituted by 4-chlorobenzenesulfonyl group and a hydrogen attached to the other nitrogen is substituted by propyl group. Chlorpropamide is a hypoglycaemic agent used in the treatment of type 2 (non-insulin-dependent) diabetes mellitus not responding to dietary modification.		1.9410monochlorobenzenes;
N-sulfonylurea		hypoglycemic agent;
insulin secretagogue
chlorpyrifos
Chlorpyrifos: An organothiophosphate cholinesterase inhibitor that is used as an insecticide and as an acaricide.. chlorpyrifos : An organic thiophosphate that is O,O-diethyl hydrogen phosphorothioate in which the hydrogen of the hydroxy group has been replaced by a 3,5,6-trichloropyridin-2-yl group.		2.0610chloropyridine;
organic thiophosphate		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
insecticide;
xenobiotic
chlorzoxazone
Chlorzoxazone: A centrally acting central muscle relaxant with sedative properties. It is claimed to inhibit muscle spasm by exerting an effect primarily at the level of the spinal cord and subcortical areas of the brain. (From Martindale, The Extra Pharmacopoea, 30th ed, p1202). chlorzoxazone : A member of the class of 1,3-benzoxazoles that is 1,3-benzoxazol-2-ol in which the hydrogen atom at position 5 is substituted by chlorine. A centrally acting muscle relaxant with sedative properties, it is used for the symptomatic treatment of painful muscle spasm.		7.94401,3-benzoxazoles;
heteroaryl hydroxy compound;
organochlorine compound		muscle relaxant;
sedative
6-hydroxychlorzoxazone
6-hydroxychlorzoxazone: chlorzoxazone metabolite in humans		2.4420benzoxazole
cimetidine
Cimetidine: A histamine congener, it competitively inhibits HISTAMINE binding to HISTAMINE H2 RECEPTORS. Cimetidine has a range of pharmacological actions. It inhibits GASTRIC ACID secretion, as well as PEPSIN and GASTRIN output.. cimetidine : A member of the class of guanidines that consists of guanidine carrying a methyl substituent at position 1, a cyano group at position 2 and a 2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl group at position 3. It is a H2-receptor antagonist that inhibits the production of acid in stomach.		7.420aliphatic sulfide;
guanidines;
imidazoles;
nitrile		adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
eucalyptol
[no description available]		2.5820
ciprofloxacin
Ciprofloxacin: A broad-spectrum antimicrobial carboxyfluoroquinoline.. ciprofloxacin : A quinolone that is quinolin-4(1H)-one bearing cyclopropyl, carboxylic acid, fluoro and piperazin-1-yl substituents at positions 1, 3, 6 and 7, respectively.		2.520aminoquinoline;
cyclopropanes;
fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone;
zwitterion		antibacterial drug;
antiinfective agent;
antimicrobial agent;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
environmental contaminant;
topoisomerase IV inhibitor;
xenobiotic
clenbuterol
Clenbuterol: A substituted phenylaminoethanol that has beta-2 adrenomimetic properties at very low doses. It is used as a bronchodilator in asthma.. clenbuterol : A substituted aniline that is 2,6-dichloroaniline in which the hydrogen at position 4 has been replaced by a 2-(tert-butylamino)-1-hydroxyethyl group.		1.9610amino alcohol;
dichlorobenzene;
ethanolamines;
primary arylamine;
secondary amino compound;
substituted aniline		beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent
clofibrate
angiokapsul: contains clofibrate & insoitolnicotinate		2.0210aromatic ether;
ethyl ester;
monochlorobenzenes		anticholesteremic drug;
antilipemic drug;
geroprotector;
PPARalpha agonist
clomipramine
Clomipramine: A tricyclic antidepressant similar to IMIPRAMINE that selectively inhibits the uptake of serotonin in the brain. It is readily absorbed from the gastrointestinal tract and demethylated in the liver to form its primary active metabolite, desmethylclomipramine.. clomipramine : A dibenzoazepine that is 10,11-dihydro-5H-dibenzo[b,f]azepine which is substituted by chlorine at position 3 and in which the hydrogen attached to the nitrogen is replaced by a 3-(dimethylamino)propyl group. One of the more sedating tricyclic antidepressants, it is used as the hydrochloride salt for the treatment of depression as well as obsessive-compulsive disorder and phobias.		2.3920dibenzoazepineanticoronaviral agent;
antidepressant;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
serotonergic antagonist;
serotonergic drug;
serotonin uptake inhibitor
clotiazepam
clotiazepam: was heading 1975-94 (see under AZEPINES 1978-90; was Y 6047 see under AZEPINES 1975-77); Y 6047 was see CLOTIAZEPAM 1978-94; use AZEPINES to search CLOTIAZEPAM 1975-94; thienodiazepine derivative with actions similar to those of benzodiazepines		2.0410organic molecular entity
4-cresol
4-cresol: RN given refers to parent cpd. p-cresol : A cresol that consists of toluene substituted by a hydroxy group at position 4. It is a metabolite of aromatic amino acid metabolism produced by intestinal microflora in humans and animals.		3.6190cresolEscherichia coli metabolite;
human metabolite;
uremic toxin
cyproheptadine
Cyproheptadine: A serotonin antagonist and a histamine H1 blocker used as antipruritic, appetite stimulant, antiallergic, and for the post-gastrectomy dumping syndrome, etc.. cyproheptadine : The product resulting from the formal oxidative coupling of position 5 of 5H-dibenzo[a,d]cycloheptene with position 4 of 1-methylpiperidine resulting in the formation of a double bond between the two fragments. It is a sedating antihistamine with antimuscarinic and calcium-channel blocking actions. It is used (particularly as the hydrochloride sesquihydrate) for the relief of allergic conditions including rhinitis, conjunctivitis due to inhalant allergens and foods, urticaria and angioedema, and in pruritic skin disorders. Unlike other antihistamines, it is also a seratonin receptor antagonist, making it useful in conditions such as vascular headache and anorexia.		1.9610piperidines;
tertiary amine		anti-allergic agent;
antipruritic drug;
gastrointestinal drug;
H1-receptor antagonist;
serotonergic antagonist
cystamine
[no description available]		1.9410organic disulfide;
primary amino compound		EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor
dapsone
[no description available]		1.9510substituted aniline;
sulfone		anti-inflammatory drug;
antiinfective agent;
antimalarial;
leprostatic drug
desipramine
Desipramine: A tricyclic dibenzazepine compound that potentiates neurotransmission. Desipramine selectively blocks reuptake of norepinephrine from the neural synapse, and also appears to impair serotonin transport. This compound also possesses minor anticholinergic activity, through its affinity to muscarinic receptors.. desipramine : A dibenzoazepine consisting of 10,11-dihydro-5H-dibenzo[b,f]azepine substituted on nitrogen with a 3-(methylamino)propyl group.		2.6830dibenzoazepine;
secondary amino compound		adrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
cholinergic antagonist;
drug allergen;
EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
serotonin uptake inhibitor
nordazepam
Nordazepam: An intermediate in the metabolism of DIAZEPAM to OXAZEPAM. It may have actions similar to those of diazepam.. nordazepam : A 1,4-benzodiazepinone having phenyl and chloro substituents at positions 5 and 7 respectively; it has anticonvulsant, anxiolytic, muscle relaxant and sedative properties but is used primarily in the treatment of anxiety.		2.02101,4-benzodiazepinone;
organochlorine compound		anticonvulsant;
anxiolytic drug;
GABA modulator;
human metabolite;
sedative
amphetamine
Amphetamine: A powerful central nervous system stimulant and sympathomimetic. Amphetamine has multiple mechanisms of action including blocking uptake of adrenergics and dopamine, stimulation of release of monamines, and inhibiting monoamine oxidase. Amphetamine is also a drug of abuse and a psychotomimetic. The l- and the d,l-forms are included here. The l-form has less central nervous system activity but stronger cardiovascular effects. The d-form is DEXTROAMPHETAMINE.. 1-phenylpropan-2-amine : A primary amine that is isopropylamine in which a hydrogen attached to one of the methyl groups has been replaced by a phenyl group.. amphetamine : A racemate comprising equimolar amounts of (R)-amphetamine (also known as levamphetamine or levoamphetamine) and (S)-amphetamine (also known as dexamfetamine or dextroamphetamine.		2.8640primary amine
diazepam
Diazepam: A benzodiazepine with anticonvulsant, anxiolytic, sedative, muscle relaxant, and amnesic properties and a long duration of action. Its actions are mediated by enhancement of GAMMA-AMINOBUTYRIC ACID activity.. diazepam : A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one substituted by a chloro group at position 7, a methyl group at position 1 and a phenyl group at position 5.		9.58801,4-benzodiazepinone;
organochlorine compound		anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic
diazinon
Diazinon: A cholinesterase inhibitor that is used as an organothiophosphorus insecticide.. diazinon : A member of the class of pyrimidines that is pyrimidine carrying an isopropyl group at position 2, a methyl group at position 6 and a (diethoxyphosphorothioyl)oxy group at position 4.		2.4220organic thiophosphate;
pyrimidines		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
nematicide;
xenobiotic
dibenzothiophene
dibenzothiophene : A mancude organic heterotricyclic parent that consists of a thiophene ring flanked by two benzene rings ortho-fused across the 2,3- and 4,5-positions.		2.4820dibenzothiophenes;
mancude organic heterotricyclic parent		keratolytic drug
dibucaine
Dibucaine: A local anesthetic of the amide type now generally used for surface anesthesia. It is one of the most potent and toxic of the long-acting local anesthetics and its parenteral use is restricted to spinal anesthesia. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1006). cinchocaine : A monocarboxylic acid amide that is the 2-(diethylamino)ethyl amide of 2-butoxyquinoline-4-carboxylic acid. One of the most potent and toxic of the long-acting local anesthetics, its parenteral use was restricted to spinal anesthesia. It is now generally only used (usually as the hydrochloride) in creams and ointments and in suppositories for temporary relief of pain and itching associated with skin and anorectal conditions.		1.9610aromatic ether;
monocarboxylic acid amide;
tertiary amino compound		topical anaesthetic
dibutyl phthalate
Dibutyl Phthalate: A plasticizer used in most plastics and found in water, air, soil, plants and animals. It may have some adverse effects with long-term exposure.. dibutyl phthalate : A phthalate ester that is the diester obtained by the formal condensation of the carboxy groups of phthalic acid with two molecules of butan-1-ol. Although used extensively as a plasticiser, it is a ubiquitous environmental contaminant that poses a risk to humans.		4.5240diester;
phthalate ester		EC 3.2.1.20 (alpha-glucosidase) inhibitor;
environmental contaminant;
metabolite;
plasticiser;
teratogenic agent
dichlobanil
2,6-dichlorobenzonitrile : A nitrile that is benzonitrile which is substituted by chlorines at positions 2 and 6. A cellulose synthesis inhibitor, it is used as a pre-emergent and early post-emergent herbicide.		2.610dichlorobenzene;
nitrile		agrochemical;
cellulose synthesis inhibitor;
environmental contaminant;
herbicide;
xenobiotic
dichlorodiphenyl dichloroethylene
Dichlorodiphenyl Dichloroethylene: An organochlorine pesticide, it is the ethylene metabolite of DDT.		2.4720chlorophenylethylene;
monochlorobenzenes		human xenobiotic metabolite;
persistent organic pollutant
ddt
1,1-bis(p-chlorophenyl)-2,2,2-trichloroethane: structure in first source		5.75170benzenoid aromatic compound;
chlorophenylethane;
monochlorobenzenes;
organochlorine insecticide		bridged diphenyl acaricide;
carcinogenic agent;
endocrine disruptor;
persistent organic pollutant
dichlorvos
Dichlorvos: An organophosphorus insecticide that inhibits ACETYLCHOLINESTERASE.. dichlorvos : An alkenyl phosphate that is the 2,2-dichloroethenyl ester of dimethyl phosphate.		1.9510alkenyl phosphate;
dialkyl phosphate;
organochlorine acaricide;
organophosphate insecticide		anthelminthic drug;
antibacterial agent;
antifungal agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor
pentetic acid
Pentetic Acid: An iron chelating agent with properties like EDETIC ACID. DTPA has also been used as a chelator for other metals, such as plutonium.		2.0410pentacarboxylic acidcopper chelator
dimefline
dimefline: RN given refers to parent cpd; structure		1.9410ether;
flavonoids
dimethoate
Dimethoate: An organothiophosphorus cholinesterase inhibitor that is used as a systemic and contact insecticide.. dimethoate : A monocarboxylic acid amide that is N-methylacetamide in which one of the hydrogens of the methyl group attached to the carbonyl moiety is replaced by a (dimethoxyphosphorothioyl)sulfanediyl group.		1.9610monocarboxylic acid amide;
organic thiophosphate		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
insecticide;
xenobiotic
diphenhydramine
Diphenhydramine: A histamine H1 antagonist used as an antiemetic, antitussive, for dermatoses and pruritus, for hypersensitivity reactions, as a hypnotic, an antiparkinson, and as an ingredient in common cold preparations. It has some undesired antimuscarinic and sedative effects.. diphenhydramine : An ether that is the benzhydryl ether of 2-(dimethylamino)ethanol. It is a H1-receptor antagonist used as a antipruritic and antitussive drug.. antitussive : An agent that suppresses cough. Antitussives have a central or a peripheral action on the cough reflex, or a combination of both. Compare with expectorants, which are considered to increase the volume of secretions in the respiratory tract, so facilitating their removal by ciliary action and coughing, and mucolytics, which decrease the viscosity of mucus, facilitating its removal by ciliary action and expectoration.		2.0210ether;
tertiary amino compound		anti-allergic agent;
antidyskinesia agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
antitussive;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
oneirogen;
sedative
benzophenone
benzophenone : The simplest member of the class of benzophenones, being formaldehyde in which both hydrogens are replaced by phenyl groups.		7.3920benzophenonesphotosensitizing agent;
plant metabolite
stallimycin
[no description available]		2.3920
disulfiram
[no description available]		2.3920organic disulfide;
organosulfur acaricide		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
EC 3.1.1.1 (carboxylesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
ferroptosis inducer;
fungicide;
NF-kappaB inhibitor
diuron
Diuron: A pre-emergent herbicide.. diuron : A member of the class of 3-(3,4-substituted-phenyl)-1,1-dimethylureas that is urea in which both of the hydrogens attached to one nitrogen are substituted by methyl groups, and one of the hydrogens attached to the other nitrogen is substituted by a 3,4-dichlorophenyl group.		2103-(3,4-substituted-phenyl)-1,1-dimethylurea;
dichlorobenzene		environmental contaminant;
mitochondrial respiratory-chain inhibitor;
photosystem-II inhibitor;
urea herbicide;
xenobiotic
valproic acid
Valproic Acid: A fatty acid with anticonvulsant and anti-manic properties that is used in the treatment of EPILEPSY and BIPOLAR DISORDER. The mechanisms of its therapeutic actions are not well understood. It may act by increasing GAMMA-AMINOBUTYRIC ACID levels in the brain or by altering the properties of VOLTAGE-GATED SODIUM CHANNELS.. valproic acid : A branched-chain saturated fatty acid that comprises of a propyl substituent on a pentanoic acid stem.		2.7830branched-chain fatty acid;
branched-chain saturated fatty acid		anticonvulsant;
antimanic drug;
EC 3.5.1.98 (histone deacetylase) inhibitor;
GABA agent;
neuroprotective agent;
psychotropic drug;
teratogenic agent
doxepin
Doxepin: A dibenzoxepin tricyclic compound. It displays a range of pharmacological actions including maintaining adrenergic innervation. Its mechanism of action is not fully understood, but it appears to block reuptake of monoaminergic neurotransmitters into presynaptic terminals. It also possesses anticholinergic activity and modulates antagonism of histamine H(1)- and H(2)-receptors.. doxepin : A dibenzooxepine that is 6,11-dihydrodibenzo[b,e]oxepine substituted by a 3-(dimethylamino)propylidene group at position 11. It is used as an antidepressant drug.		1.9610dibenzooxepine;
tertiary amino compound		antidepressant
enflurane
Enflurane: An extremely stable inhalation anesthetic that allows rapid adjustments of anesthesia depth with little change in pulse or respiratory rate.. enflurane : An ether in which the oxygen atom is connected to 2-chloro-1,1,2-trifluoroethyl and difluoromethyl groups.		2.4120ether;
organochlorine compound;
organofluorine compound		anaesthetic
epinastine
epinastine: RN given refers parent cpd. epinastine : A benzazepine that is 6,11-dihydro-5H-dibenzo[b,e]azepine in which the azepine ring is fused to the e side of 4,5-dihydro-1H-imidazol-2-amine.		2.0210benzazepine;
guanidines		anti-allergic agent;
H1-receptor antagonist;
histamine antagonist;
ophthalmology drug
erythrosine
Fluoresceins: A family of spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one derivatives. These are used as dyes, as indicators for various metals, and as fluorescent labels in immunoassays.		2.6730
ethacrynic acid
Ethacrynic Acid: A compound that inhibits symport of sodium, potassium, and chloride primarily in the ascending limb of Henle, but also in the proximal and distal tubules. This pharmacological action results in excretion of these ions, increased urinary output, and reduction in extracellular fluid. This compound has been classified as a loop or high ceiling diuretic.. etacrynic acid : An aromatic ether that is phenoxyacetic acid in which the phenyl ring is substituted by chlorines at positions 2 and 3, and by a 2-methylidenebutanoyl group at position 4. It is a loop diuretic used to treat high blood pressure resulting from diseases such as congestive heart failure, liver failure, and kidney failure. It is also a glutathione S-transferase (EC 2.5.1.18) inhibitor.		1.9410aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid		EC 2.5.1.18 (glutathione transferase) inhibitor;
ion transport inhibitor;
loop diuretic
ethenzamide
ethenzamide: structure		2.0410organic molecular entity
ether
Ether: A mobile, very volatile, highly flammable liquid used as an inhalation anesthetic and as a solvent for waxes, fats, oils, perfumes, alkaloids, and gums. It is mildly irritating to skin and mucous membranes.. ether : An organooxygen compound with formula ROR, where R is not hydrogen.. diethyl ether : An ether in which the oxygen atom is linked to two ethyl groups.		5.37190ether;
volatile organic compound		inhalation anaesthetic;
non-polar solvent;
refrigerant
ethoxyquin
Ethoxyquin: Antioxidant; also a post-harvest dip to prevent scald on apples and pears.. ethoxyquin : A quinoline that is 1,2-dihydroquinoline bearing three methyl substituents at position 2, 2 and 4 as well as an ethoxy substituent at position 6.		210aromatic ether;
quinolines		antifungal agrochemical;
food antioxidant;
genotoxin;
geroprotector;
herbicide;
Hsp90 inhibitor;
neuroprotective agent;
UDP-glucuronosyltransferase activator
ethoxyresorufin
ethoxyresorufin: structure		6.9710phenoxazine
ethylenediamine
ethylenediamine: RN given refers to parent cpd; edamine is the recommended contraction for the ethylenediamine radical. ethylenediamine : An alkane-alpha,omega-diamine in which the alkane is ethane.		2.7630alkane-alpha,omega-diamineGABA agonist
etodolac
Etodolac: A non-steroidal anti-inflammatory agent and cyclooxygenase-2 (COX-2) inhibitor with potent analgesic and anti-arthritic properties. It has been shown to be effective in the treatment of OSTEOARTHRITIS; RHEUMATOID ARTHRITIS; ANKYLOSING SPONDYLITIS; and in the alleviation of postoperative pain (PAIN, POSTOPERATIVE).. etodolac : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl moiety. A preferential inhibitor of cyclo-oxygenase 2 and non-steroidal anti-inflammatory, it is used for the treatment of rheumatoid arthritis and osteoarthritis, and for the alleviation of postoperative pain. Administered as the racemate, only the (S)-enantiomer is active.		210monocarboxylic acid;
organic heterotricyclic compound		antipyretic;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
fenbufen
fenbufen: structure; RN given refers to parent cpd		2.42204-oxo monocarboxylic acid;
biphenyls		non-steroidal anti-inflammatory drug
fenfluramine
Fenfluramine: A centrally active drug that apparently both blocks serotonin uptake and provokes transport-mediated serotonin release.. fenfluramine : A secondary amino compound that is 1-phenyl-propan-2-amine in which one of the meta-hydrogens is substituted by trifluoromethyl, and one of the hydrogens attached to the nitrogen is substituted by an ethyl group. It binds to the serotonin reuptake pump, causing inhbition of serotonin uptake and release of serotonin. The resulting increased levels of serotonin lead to greater serotonin receptor activation which in turn lead to enhancement of serotoninergic transmission in the centres of feeding behavior located in the hypothalamus. This suppresses the appetite for carbohydrates. Fenfluramine was used as the hydrochloride for treatment of diabetes and obesity. It was withdrawn worldwide after reports of heart valve disease and pulmonary hypertension.		1.9410(trifluoromethyl)benzenes;
secondary amino compound		appetite depressant;
serotonergic agonist;
serotonin uptake inhibitor
fentanyl
Fentanyl: A potent narcotic analgesic, abuse of which leads to habituation or addiction. It is primarily a mu-opioid agonist. Fentanyl is also used as an adjunct to general anesthetics, and as an anesthetic for induction and maintenance. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1078). fentanyl : A monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of N-phenyl-1-(2-phenylethyl)piperidin-4-amine with propanoic acid.		2.0410anilide;
monocarboxylic acid amide;
piperidines		adjuvant;
anaesthesia adjuvant;
anaesthetic;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic
fenvalerate
fenvalerate: synthetic pyrethroid; RN given refers to cpd without isomeric designation; structure. fenvalerate : A carboxylic ester obtained by formal condensation between 2-(4-chlorophenyl)-3-methylbutyric acid and cyano(3-phenoxyphenyl)methanol.		2.0110aromatic ether;
carboxylic ester;
monochlorobenzenes		pyrethroid ester acaricide;
pyrethroid ester insecticide
fluconazole
Fluconazole: Triazole antifungal agent that is used to treat oropharyngeal CANDIDIASIS and cryptococcal MENINGITIS in AIDS.. fluconazole : A member of the class of triazoles that is propan-2-ol substituted at position 1 and 3 by 1H-1,2,4-triazol-1-yl groups and at position 2 by a 2,4-difluorophenyl group. It is an antifungal drug used for the treatment of mucosal candidiasis and for systemic infections including systemic candidiasis, coccidioidomycosis, and cryptococcosis.		2.4720conazole antifungal drug;
difluorobenzene;
tertiary alcohol;
triazole antifungal drug		environmental contaminant;
P450 inhibitor;
xenobiotic
fludiazepam
fludiazepam: RN given refers to parent cpd; structure		2.05101,4-benzodiazepinone;
organochlorine compound;
organofluorine compound		anxiolytic drug
flufenamic acid
Flufenamic Acid: An anthranilic acid derivative with analgesic, anti-inflammatory, and antipyretic properties. It is used in musculoskeletal and joint disorders and administered by mouth and topically. (From Martindale, The Extra Pharmacopoeia, 30th ed, p16). flufenamic acid : An aromatic amino acid consisting of anthranilic acid carrying an N-(trifluoromethyl)phenyl substituent. An analgesic and anti-inflammatory, it is used in rheumatic disorders.		2.0510aromatic amino acid;
organofluorine compound		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
flumequine
flumequine: structure. flumequine : A racemate comprising equimolar amounts of R- and S-flumequine. A broad-spectrum antibiotic, formerly used in veterinary medicine for stock breeding and treatment of aquacultures.. 9-fluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid : A member of the class of pyridoquinolines that is 1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline carrying additional carboxy, methyl and fluoro substituents at positions 2, 5 and 9 respectively.		2.02103-oxo monocarboxylic acid;
organofluorine compound;
pyridoquinoline;
quinolone antibiotic
fluorouracil
Fluorouracil: A pyrimidine analog that is an antineoplastic antimetabolite. It interferes with DNA synthesis by blocking the THYMIDYLATE SYNTHETASE conversion of deoxyuridylic acid to thymidylic acid.. 5-fluorouracil : A nucleobase analogue that is uracil in which the hydrogen at position 5 is replaced by fluorine. It is an antineoplastic agent which acts as an antimetabolite - following conversion to the active deoxynucleotide, it inhibits DNA synthesis (by blocking the conversion of deoxyuridylic acid to thymidylic acid by the cellular enzyme thymidylate synthetase) and so slows tumour growth.		2.610nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic
fluoxetine
Fluoxetine: The first highly specific serotonin uptake inhibitor. It is used as an antidepressant and often has a more acceptable side-effects profile than traditional antidepressants.. fluoxetine : A racemate comprising equimolar amounts of (R)- and (S)-fluoxetine. A selective serotonin reuptake inhibitor (SSRI), it is used (generally as the hydrochloride salt) for the treatment of depression (and the depressive phase of bipolar disorder), bullimia nervosa, and obsessive-compulsive disorder.. N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine : An aromatic ether consisting of 4-trifluoromethylphenol in which the hydrogen of the phenolic hydroxy group is replaced by a 3-(methylamino)-1-phenylpropyl group.		2.4420(trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound
flurbiprofen
Flurbiprofen: An anti-inflammatory analgesic and antipyretic of the phenylalkynoic acid series. It has been shown to reduce bone resorption in periodontal disease by inhibiting CARBONIC ANHYDRASE.. flurbiprofen : A monocarboxylic acid that is a 2-fluoro-[1,1'-biphenyl-4-yl] moiety linked to C-2 of propionic acid. A non-steroidal anti-inflammatory, analgesic and antipyretic, it is used as a pre-operative anti-miotic as well as orally for arthritis or dental pain.		2.9440fluorobiphenyl;
monocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
furosemide
Furosemide: A benzoic-sulfonamide-furan. It is a diuretic with fast onset and short duration that is used for EDEMA and chronic RENAL INSUFFICIENCY.. furosemide : A chlorobenzoic acid that is 4-chlorobenzoic acid substituted by a (furan-2-ylmethyl)amino and a sulfamoyl group at position 2 and 5 respectively. It is a diuretic used in the treatment of congestive heart failure.		2.9140chlorobenzoic acid;
furans;
sulfonamide		environmental contaminant;
loop diuretic;
xenobiotic
glutaral
Glutaral: One of the protein CROSS-LINKING REAGENTS that is used as a disinfectant for sterilization of heat-sensitive equipment and as a laboratory reagent, especially as a fixative.. glutaraldehyde : A dialdehyde comprised of pentane with aldehyde functions at C-1 and C-5.		2.4820dialdehydecross-linking reagent;
disinfectant;
fixative
glyphosate
glyphosate: active cpd in herbicidal formulation Roundup; inhibits EC 2.5.1.19, 5-enolpyruvylshikimate-3-phosphate synthase; structure. glyphosate : A phosphonic acid resulting from the formal oxidative coupling of the methyl group of methylphosphonic acid with the amino group of glycine. It is one of the most commonly used herbicides worldwide, and the only one to target the enzyme 5-enolpyruvyl-3-shikimate phosphate synthase (EPSPS).		2.0610glycine derivative;
phosphonic acid		agrochemical;
EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor;
herbicide
gossypol
Gossypol: A dimeric sesquiterpene found in cottonseed (GOSSYPIUM). The (-) isomer is active as a male contraceptive (CONTRACEPTIVE AGENTS, MALE) whereas toxic symptoms are associated with the (+) isomer.		1.9510
guaifenesin
Guaifenesin: An expectorant that also has some muscle relaxing action. It is used in many cough preparations.		2.0310methoxybenzenes
guanidine
Guanidine: A strong organic base existing primarily as guanidium ions at physiological pH. It is found in the urine as a normal product of protein metabolism. It is also used in laboratory research as a protein denaturant. (From Martindale, the Extra Pharmacopoeia, 30th ed and Merck Index, 12th ed) It is also used in the treatment of myasthenia and as a fluorescent probe in HPLC.. guanidine : An aminocarboxamidine, the parent compound of the guanidines.		3.93120carboxamidine;
guanidines;
one-carbon compound
haloperidol
Haloperidol: A phenyl-piperidinyl-butyrophenone that is used primarily to treat SCHIZOPHRENIA and other PSYCHOSES. It is also used in schizoaffective disorder, DELUSIONAL DISORDERS, ballism, and TOURETTE SYNDROME (a drug of choice) and occasionally as adjunctive therapy in INTELLECTUAL DISABILITY and the chorea of HUNTINGTON DISEASE. It is a potent antiemetic and is used in the treatment of intractable HICCUPS. (From AMA Drug Evaluations Annual, 1994, p279). haloperidol : A compound composed of a central piperidine structure with hydroxy and p-chlorophenyl substituents at position 4 and an N-linked p-fluorobutyrophenone moiety.		3.2660aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol		antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist
halothane
[no description available]		4.3160haloalkane;
organobromine compound;
organochlorine compound;
organofluorine compound		inhalation anaesthetic
harmaline
Harmaline: A beta-carboline alkaloid isolated from seeds of PEGANUM.. harmaline : A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7 and has been reduced across the 3,4 bond.		7.0510harmala alkaloidoneirogen
heptachlor
Heptachlor: A man-made compound previously used to control termites and other insects. Even though production of heptachlor was phased out of use in the United States during the late 1980's it remains in soil and hazardous waste sites. It is clearly toxic to animals and humans but, the International Agency for Research on Cancer (IARC) has determined that heptachlor is not classifiable as to its carcinogenicity to humans. (From ATSDR Public Heath Statement, April 1989). heptachlor : A cyclodiene organochlorine insecticide that is 3a,4,7,7a-tetrahydro-1H-4,7-methanoindene substituted by chlorine atoms at positions 1, 4, 5, 6, 7, 8 and 8. Formerly used to kill termites, ants and other insects in agricultural and domestic situations.		2.4110cyclodiene organochlorine insecticideagrochemical;
antibacterial agent;
antifungal agent;
GABA-gated chloride channel antagonist;
persistent organic pollutant
hexobarbital
Hexobarbital: A barbiturate that is effective as a hypnotic and sedative.. hexobarbital : A member of the class of barbiturates taht is barbituric acid substituted at N-1 by methyl and at C-5 by methyl and cyclohex-1-enyl groups.		3.4780barbiturates
ethidium
Ethidium: A trypanocidal agent and possible antiviral agent that is widely used in experimental cell biology and biochemistry. Ethidium has several experimentally useful properties including binding to nucleic acids, noncompetitive inhibition of nicotinic acetylcholine receptors, and fluorescence among others. It is most commonly used as the bromide.. ethidium : The fluorescent compound widely used in experimental cell biology and biochemistry to reveal double-stranded DNA and RNA.		2.0510phenanthridinesfluorochrome;
intercalator
hydrochlorothiazide
Hydrochlorothiazide: A thiazide diuretic often considered the prototypical member of this class. It reduces the reabsorption of electrolytes from the renal tubules. This results in increased excretion of water and electrolytes, including sodium, potassium, chloride, and magnesium. It is used in the treatment of several disorders including edema, hypertension, diabetes insipidus, and hypoparathyroidism.. hydrochlorothiazide : A benzothiadiazine that is 3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide substituted by a chloro group at position 6 and a sulfonamide at 7. It is diuretic used for the treatment of hypertension and congestive heart failure.		2.0510benzothiadiazine;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
hydroxyurea
[no description available]		3.4820one-carbon compound;
ureas		antimetabolite;
antimitotic;
antineoplastic agent;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
genotoxin;
immunomodulator;
radical scavenger;
teratogenic agent
hydroxyzine
Hydroxyzine: A histamine H1 receptor antagonist that is effective in the treatment of chronic urticaria, dermatitis, and histamine-mediated pruritus. Unlike its major metabolite CETIRIZINE, it does cause drowsiness. It is also effective as an antiemetic, for relief of anxiety and tension, and as a sedative.. hydroxyzine : A N-alkylpiperazine that is piperzine in which the nitrogens atoms are substituted by 2-(2-hydroxyethoxy)ethyl and (4-chlorophenyl)(phenyl)methyl groups respectively.		2.4420hydroxyether;
monochlorobenzenes;
N-alkylpiperazine		anticoronaviral agent;
antipruritic drug;
anxiolytic drug;
dermatologic drug;
H1-receptor antagonist
ibuprofen
Midol: combination of cinnamedrine, phenacetin, aspirin & caffeine		2.9540monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic
phenelzine
Phenelzine: One of the MONOAMINE OXIDASE INHIBITORS used to treat DEPRESSION; PHOBIC DISORDERS; and PANIC.		1.9410primary amine
lidocaine
Lidocaine: A local anesthetic and cardiac depressant used as an antiarrhythmia agent. Its actions are more intense and its effects more prolonged than those of PROCAINE but its duration of action is shorter than that of BUPIVACAINE or PRILOCAINE.. lidocaine : The monocarboxylic acid amide resulting from the formal condensation of N,N-diethylglycine with 2,6-dimethylaniline.		3.150benzenes;
monocarboxylic acid amide;
tertiary amino compound		anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic
imipramine
Imipramine: The prototypical tricyclic antidepressant. It has been used in major depression, dysthymia, bipolar depression, attention-deficit disorders, agoraphobia, and panic disorders. It has less sedative effect than some other members of this therapeutic group.. imipramine : A dibenzoazepine that is 5H-dibenzo[b,f]azepine substituted by a 3-(dimethylamino)propyl group at the nitrogen atom.		3.0950dibenzoazepineadrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
indomethacin
Indomethacin: A non-steroidal anti-inflammatory agent (NSAID) that inhibits CYCLOOXYGENASE, which is necessary for the formation of PROSTAGLANDINS and other AUTACOIDS. It also inhibits the motility of POLYMORPHONUCLEAR LEUKOCYTES.. indometacin : A member of the class of indole-3-acetic acids that is indole-3-acetic acid in which the indole ring is substituted at positions 1, 2 and 5 by p-chlorobenzoyl, methyl, and methoxy groups, respectively. A non-steroidal anti-inflammatory drug, it is used in the treatment of musculoskeletal and joint disorders including osteoarthritis, rheumatoid arthritis, gout, bursitis and tendinitis.		3.5990aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole		analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite;
xenobiotic
indoprofen
Indoprofen: A drug that has analgesic and anti-inflammatory properties. Following reports of adverse reactions including reports of carcinogenicity in animal studies it was withdrawn from the market worldwide. (From Martindale, The Extra Pharmacopoeia, 30th ed, p21). indoprofen : A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a 4-(1-oxo-1,3-dihydroisoindol-2-yl)phenyl group. Initially used as an anti-inflammatory and analgesic, it was withdrawn from the market due to causing severe gastrointestinal bleeding. It has been subsequently found to increase production of the survival motor neuron protein.		210gamma-lactam;
isoindoles;
monocarboxylic acid		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
isoflurane
Isoflurane: A stable, non-explosive inhalation anesthetic, relatively free from significant side effects.		2.9240organofluorine compoundinhalation anaesthetic
2-propanol
2-Propanol: An isomer of 1-PROPANOL. It is a colorless liquid having disinfectant properties. It is used in the manufacture of acetone and its derivatives and as a solvent. Topically, it is used as an antiseptic.. propan-2-ol : A secondary alcohol that is propane in which one of the hydrogens attached to the central carbon is substituted by a hydroxy group.		6.53230secondary alcohol;
secondary fatty alcohol		protic solvent
isoproterenol
Isoproterenol: Isopropyl analog of EPINEPHRINE; beta-sympathomimetic that acts on the heart, bronchi, skeletal muscle, alimentary tract, etc. It is used mainly as bronchodilator and heart stimulant.. isoprenaline : A secondary amino compound that is noradrenaline in which one of the hydrogens attached to the nitrogen is replaced by an isopropyl group. A sympathomimetic acting almost exclusively on beta-adrenergic receptors, it is used (mainly as the hydrochloride salt) as a bronghodilator and heart stimulant for the management of a variety of cardiac disorders.		2.6530catechols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent
ketoconazole
1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine : A dioxolane that is 1,3-dioxolane which is substituted at positions 2, 2, and 4 by imidazol-1-ylmethyl, 2,4-dichlorophenyl, and [para-(4-acetylpiperazin-1-yl)phenoxy]methyl groups, respectively.		2.0110dichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine
ketoprofen
Ketoprofen: An IBUPROFEN-type anti-inflammatory analgesic and antipyretic. It is used in the treatment of rheumatoid arthritis and osteoarthritis.. ketoprofen : An oxo monocarboxylic acid that consists of propionic acid substituted by a 3-benzoylphenyl group at position 2.		2.9340benzophenones;
oxo monocarboxylic acid		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic
kynurenic acid
Kynurenic Acid: A broad-spectrum excitatory amino acid antagonist used as a research tool.. kynurenic acid : A quinolinemonocarboxylic acid that is quinoline-2-carboxylic acid substituted by a hydroxy group at C-4.		1.9410monohydroxyquinoline;
quinolinemonocarboxylic acid		G-protein-coupled receptor agonist;
human metabolite;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist;
Saccharomyces cerevisiae metabolite
2-phenylglycine
2-phenylglycine: RN given refers to cpd without isomeric designation; structure. alpha-phenylglycine : An amino acid with a structure in which a phenyl ring is bonded to the alpha-carbon of glycine.		2.110non-proteinogenic alpha-amino acidhuman metabolite
lamotrigine
[no description available]		2.07101,2,4-triazines;
dichlorobenzene;
primary arylamine		anticonvulsant;
antidepressant;
antimanic drug;
calcium channel blocker;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
excitatory amino acid antagonist;
geroprotector;
non-narcotic analgesic;
xenobiotic
lauric acid
dodecanoic acid : A straight-chain, twelve-carbon medium-chain saturated fatty acid with strong bactericidal properties; the main fatty acid in coconut oil and palm kernel oil.		2.3420medium-chain fatty acid;
straight-chain saturated fatty acid		algal metabolite;
antibacterial agent;
plant metabolite
letrozole
[no description available]		2.0410nitrile;
triazoles		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
lomustine
[no description available]		1.9710N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent
loratadine
Loratadine: A second-generation histamine H1 receptor antagonist used in the treatment of allergic rhinitis and urticaria. Unlike most classical antihistamines (HISTAMINE H1 ANTAGONISTS) it lacks central nervous system depressing effects such as drowsiness.. loratadine : A benzocycloheptapyridine that is 6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine substituted by a chloro group at position 8 and a 1-(ethoxycarbonyl)piperidin-4-ylidene group at position 11. It is a H1-receptor antagonist commonly employed in the treatment of allergic disorders.		2.0210benzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide		anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist
lorazepam
Lorazepam: A benzodiazepine used as an anti-anxiety agent with few side effects. It also has hypnotic, anticonvulsant, and considerable sedative properties and has been proposed as a preanesthetic agent.		7.6830benzodiazepine
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one
2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one: specific inhibitor of phosphatidylinositol 3-kinase; structure in first source		2.0310chromones;
morpholines;
organochlorine compound		autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector
mafenide
Mafenide: A sulfonamide that inhibits the enzyme CARBONIC ANHYDRASE and is used as a topical anti-bacterial agent, especially in burn therapy.		2.6230aromatic amine
malathion
Malathion: A wide spectrum aliphatic organophosphate insecticide widely used for both domestic and commercial agricultural purposes.. malathion : A racemate comprising equimolar amounts of (R) and (S)-malathion. It is a broad spectrum organophosphate proinsecticide used to control a wide range of pests including Coleoptera, Diptera, fruit flies, mosquitos and spider mites.. diethyl 2-[(dimethoxyphosphorothioyl)thio]succinate : A diester that is diethyl succinate in which position 2 is substituted by a (dimethoxyphosphorothioyl)thio group.		7.940diester;
ethyl ester;
organic thiophosphate
mechlorethamine
nitrogen mustard : Compounds having two beta-haloalkyl groups bound to a nitrogen atom, as in (X-CH2-CH2)2NR.		3.1860nitrogen mustard;
organochlorine compound		alkylating agent
meclofenamic acid
Meclofenamic Acid: A non-steroidal anti-inflammatory agent with antipyretic and antigranulation activities. It also inhibits prostaglandin biosynthesis.. meclofenamic acid : An aminobenzoic acid that is anthranilic acid in which one of the hydrogens attached to the nitrogen is replaced by a 2,6-dichloro-3-methylphenyl group. A non-steroidal anti-inflammatory drug, it is used as the sodium salt for the treatment of dysmenorrhoea (painful periods), osteoarthritis and rheumatoid arthritis.		2.0510aminobenzoic acid;
organochlorine compound;
secondary amino compound		analgesic;
anticonvulsant;
antineoplastic agent;
antipyretic;
antirheumatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
medazepam
Medazepam: A benzodiazepine derivative used in the treatment of anxiety. It has sedative, muscle relaxant, and anticonvulsant properties. One of its metabolites is DIAZEPAM and one of its excretion products is OXAZEPAM.		2.0510organic molecular entity
mefenamic acid
Mefenamic Acid: A non-steroidal anti-inflammatory agent with analgesic, anti-inflammatory, and antipyretic properties. It is an inhibitor of cyclooxygenase.. mefenamic acid : An aminobenzoic acid that is anthranilic acid in which one of the hydrogens attached to the nitrogen is replaced by a 2,3-dimethylphenyl group. Although classed as a non-steroidal anti-inflammatory drug, its anti-inflammatory properties are considered to be minor. It is used to relieve mild to moderate pain, including headaches, dental pain, osteoarthritis and rheumatoid arthritis.		2.0510aminobenzoic acid;
secondary amino compound		analgesic;
antipyretic;
antirheumatic drug;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic
vitamin k 3
Vitamin K 3: A synthetic naphthoquinone without the isoprenoid side chain and biological activity, but can be converted to active vitamin K2, menaquinone, after alkylation in vivo.		2.45201,4-naphthoquinones;
vitamin K		angiogenesis inhibitor;
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human urinary metabolite;
nutraceutical
meperidine
Meperidine: A narcotic analgesic that can be used for the relief of most types of moderate to severe pain, including postoperative pain and the pain of labor. Prolonged use may lead to dependence of the morphine type; withdrawal symptoms appear more rapidly than with morphine and are of shorter duration.. pethidine : A piperidinecarboxylate ester that is piperidine which is substituted by a methyl group at position 1 and by phenyl and ethoxycarbonyl groups at position 4. It is an analgesic which is used for the treatment of moderate to severe pain, including postoperative pain and labour pain.		2.3520ethyl ester;
piperidinecarboxylate ester;
tertiary amino compound		antispasmodic drug;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
opioid analgesic
mepivacaine
Mepivacaine: A local anesthetic that is chemically related to BUPIVACAINE but pharmacologically related to LIDOCAINE. It is indicated for infiltration, nerve block, and epidural anesthesia. Mepivacaine is effective topically only in large doses and therefore should not be used by this route. (From AMA Drug Evaluations, 1994, p168). mepivacaine : A piperidinecarboxamide in which N-methylpipecolic acid and 2,6-dimethylaniline have combined to form the amide bond. It is used as a local amide-type anaesthetic.		1.9610piperidinecarboxamidedrug allergen;
local anaesthetic
meprobamate
Meprobamate: A carbamate with hypnotic, sedative, and some muscle relaxant properties, although in therapeutic doses reduction of anxiety rather than a direct effect may be responsible for muscle relaxation. Meprobamate has been reported to have anticonvulsant actions against petit mal seizures, but not against grand mal seizures (which may be exacerbated). It is used in the treatment of ANXIETY DISORDERS, and also for the short-term management of INSOMNIA but has largely been superseded by the BENZODIAZEPINES. (From Martindale, The Extra Pharmacopoeia, 30th ed, p603)		1.9310organic molecular entity
merbromin
Merbromin: A once-popular mercury containing topical antiseptic.. merbromin : An organic sodium salt that is 2,7-dibromo-4-hydroxymercurifluorescein in which the carboxy group and the phenolic hydroxy group have been deprotonated and the resulting charge is neutralised by two sodium ions.		1.9210
mesalamine
Mesalamine: An anti-inflammatory agent, structurally related to the SALICYLATES, which is active in INFLAMMATORY BOWEL DISEASE. It is considered to be the active moiety of SULPHASALAZINE. (From Martindale, The Extra Pharmacopoeia, 30th ed). mesalamine : A monohydroxybenzoic acid that is salicylic acid substituted by an amino group at the 5-position.		7.0510amino acid;
aromatic amine;
monocarboxylic acid;
monohydroxybenzoic acid;
phenols		non-steroidal anti-inflammatory drug
mescaline
Mescaline: Hallucinogenic alkaloid isolated from the flowering heads (peyote) of Lophophora (formerly Anhalonium) williamsii, a Mexican cactus used in Indian religious rites and as an experimental psychotomimetic. Among its cellular effects are agonist actions at some types of serotonin receptors. It has no accepted therapeutic uses although it is legal for religious use by members of the Native American Church.. mescaline : A phenethylamine alkaloid that is phenethylamine substituted at positions 3, 4 and 5 by methoxy groups.		1.9410methoxybenzenes;
phenethylamine alkaloid;
primary amino compound		hallucinogen
mesoridazine
Mesoridazine: A phenothiazine antipsychotic with effects similar to CHLORPROMAZINE.. mesoridazine : A phenothiazine substituted at position 2 (para to the S atom) by a methylsulfinyl group, and on the nitrogen by a 2-(1-methylpiperidin-2-yl)ethyl group.		1.9610phenothiazines;
sulfoxide;
tertiary amino compound		dopaminergic antagonist;
first generation antipsychotic
metaproterenol
Metaproterenol: A beta-2 adrenergic agonist used in the treatment of ASTHMA and BRONCHIAL SPASM.. orciprenaline : A racemate composed of equimolar amounts of (R)- and (S)-orciprenaline. Used (as its sulfate salt) to relax the airway muscles and improve breathing for patients suffering from asthma or bronchitis.. 5-[1-hydroxy-2-(isopropanylamino)ethyl]benzene-1,3-diol : A member of the class of resorcinols bearing an additional 1-hydroxy-2-(isopropanylamino)ethyl substituent at position 5 of resorcinol itself.		1.9610aralkylamino compound;
phenylethanolamines;
resorcinols;
secondary alcohol;
secondary amino compound
metformin
Metformin: A biguanide hypoglycemic agent used in the treatment of non-insulin-dependent diabetes mellitus not responding to dietary modification. Metformin improves glycemic control by improving insulin sensitivity and decreasing intestinal absorption of glucose. (From Martindale, The Extra Pharmacopoeia, 30th ed, p289). metformin : A member of the class of guanidines that is biguanide the carrying two methyl substituents at position 1.		4.811guanidinesenvironmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic
methadone
Methadone: A synthetic opioid that is used as the hydrochloride. It is an opioid analgesic that is primarily a mu-opioid agonist. It has actions and uses similar to those of MORPHINE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1082-3). methadone : A racemate comprising equimolar amounts of dextromethadone and levomethadone. It is a opioid analgesic which is used as a painkiller and as a substitute for heroin in the treatment of heroin addiction.. 6-(dimethylamino)-4,4-diphenylheptan-3-one : A ketone that is heptan-3-one substituted by a dimethylamino group at position 6 and two phenyl groups at position 4.		2.3520benzenes;
diarylmethane;
ketone;
tertiary amino compound
methazolamide
Methazolamide: A carbonic anhydrase inhibitor that is used as a diuretic and in the treatment of glaucoma.		1.9510sulfonamide;
thiadiazoles
methenamine
Methenamine: An anti-infective agent most commonly used in the treatment of urinary tract infections. Its anti-infective action derives from the slow release of formaldehyde by hydrolysis at acidic pH. (From Martindale, The Extra Pharmacopoeia, 30th ed, p173). hexamethylenetetramine : A polycyclic cage that is adamantane in which the carbon atoms at positions 1, 3, 5 and 7 are replaced by nitrogen atoms.		1.9510polyazaalkane;
polycyclic cage;
tetramine		antibacterial drug
methomyl
Methomyl: A carbamate insecticide with anticholinesterase activity.. methomyl : A carbamate ester obtained by the formal condensation of methylcarbamic acid with the hydroxy group of 1-(methylsulfanyl)acetaldoxime.		2.0710aliphatic sulfide;
carbamate ester		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
insecticide;
nematicide;
xenobiotic
methoxsalen
Methoxsalen: A naturally occurring furocoumarin compound found in several species of plants, including Psoralea corylifolia. It is a photoactive substance that forms DNA ADDUCTS in the presence of ultraviolet A irradiation.. methoxsalen : A member of the class of psoralens that is 7H-furo[3,2-g]chromen-7-one in which the 9 position is substituted by a methoxy group. It is a constituent of the fruits of Ammi majus. Like other psoralens, trioxsalen causes photosensitization of the skin. It is administered topically or orally in conjunction with UV-A for phototherapy treatment of vitiligo and severe psoriasis.		1.9710aromatic ether;
psoralens		antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite
methoxyflurane
Methoxyflurane: An inhalation anesthetic. Currently, methoxyflurane is rarely used for surgical, obstetric, or dental anesthesia. If so employed, it should be administered with NITROUS OXIDE to achieve a relatively light level of anesthesia, and a neuromuscular blocking agent given concurrently to obtain the desired degree of muscular relaxation. (From AMA Drug Evaluations Annual, 1994, p180). methoxyflurane : An ether in which the two groups attached to the central oxygen atom are methyl and 2,2-dichloro-1,1-difluoroethyl.		2.0410ether;
organochlorine compound;
organofluorine compound		hepatotoxic agent;
inhalation anaesthetic;
nephrotoxic agent;
non-narcotic analgesic
methyl parathion
Methyl Parathion: The methyl homolog of parathion. An effective, but highly toxic, organothiophosphate insecticide and cholinesterase inhibitor.. parathion-methyl : A C-nitro compound that is 4-nitrophenol substituted by a (dimethoxyphosphorothioyl)oxy group at position 4.		1.9510C-nitro compound;
organic thiophosphate;
organothiophosphate insecticide		acaricide;
agrochemical;
antifungal agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
genotoxin
methyl methanesulfonate
[no description available]		1.9810methanesulfonate esteralkylating agent;
apoptosis inducer;
carcinogenic agent;
genotoxin;
mutagen
methylphenidate
Methylphenidate: A central nervous system stimulant used most commonly in the treatment of ATTENTION DEFICIT DISORDER in children and for NARCOLEPSY. Its mechanisms appear to be similar to those of DEXTROAMPHETAMINE. The d-isomer of this drug is referred to as DEXMETHYLPHENIDATE HYDROCHLORIDE.. methylphenidate : A racemate comprising equimolar amounts of the two threo isomers of methyl phenyl(piperidin-2-yl)acetate. A central stimulant and indirect-acting sympathomimetic, is used (generally as the hydrochloride salt) in the treatment of hyperactivity disorders in children and for the treatment of narcolepsy.. methyl phenyl(piperidin-2-yl)acetate : A amino acid ester that is methyl phenylacetate in which one of the hydrogens alpha to the carbonyl group is replaced by a piperidin-2-yl group.		2.0410beta-amino acid ester;
methyl ester;
piperidines
metolazone
Metolazone: A quinazoline-sulfonamide derived DIURETIC that functions by inhibiting SODIUM CHLORIDE SYMPORTERS.. metolazone : A quinazoline that consists of 1,2,3,4-tetrahydroquinazolin-4-one bearing additional methyl, 2-tolyl, sulfamyl and chloro substituents at positions 2, 3, 6 and 7 respectively. A quinazoline diuretic, with properties similar to thiazide diuretics.		2.0210organochlorine compound;
quinazolines;
sulfonamide		antihypertensive agent;
diuretic;
ion transport inhibitor
metoprolol
Metoprolol: A selective adrenergic beta-1 blocking agent that is commonly used to treat ANGINA PECTORIS; HYPERTENSION; and CARDIAC ARRHYTHMIAS.. metoprolol : A propanolamine that is 1-(propan-2-ylamino)propan-2-ol substituted by a 4-(2-methoxyethyl)phenoxy group at position 1.		2.4420aromatic ether;
propanolamine;
secondary alcohol;
secondary amino compound		antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
geroprotector;
xenobiotic
metyrapone
Metyrapone: An inhibitor of the enzyme STEROID 11-BETA-MONOOXYGENASE. It is used as a test of the feedback hypothalamic-pituitary mechanism in the diagnosis of CUSHING SYNDROME.. metyrapone : An aromatic ketone that is 3,3-dimethylbutan-2-one in which the methyl groups at positions 1 and 4 are replaced by pyridin-3-yl groups. A steroid 11beta-monooxygenase (EC 1.14.15.4) inhibitor, it is used in the diagnosis of adrenal insufficiency.		2.8640aromatic ketoneantimetabolite;
diagnostic agent;
EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor
midazolam
Midazolam: A short-acting hypnotic-sedative drug with anxiolytic and amnestic properties. It is used in dentistry, cardiac surgery, endoscopic procedures, as preanesthetic medication, and as an adjunct to local anesthesia. The short duration and cardiorespiratory stability makes it useful in poor-risk, elderly, and cardiac patients. It is water-soluble at pH less than 4 and lipid-soluble at physiological pH.. midazolam : An imidazobenzodiazepine that is 4H-imidazo[1,5-a][1,4]benzodiazepine which is substituted by a methyl, 2-fluorophenyl and chloro groups at positions 1, 6 and 8, respectively.		2.0410imidazobenzodiazepine;
monofluorobenzenes;
organochlorine compound		anticonvulsant;
antineoplastic agent;
anxiolytic drug;
apoptosis inducer;
central nervous system depressant;
GABAA receptor agonist;
general anaesthetic;
muscle relaxant;
sedative
myristicin
myristicin: asaricin is an isomer; structure; a methylene dioxy version of elemicin;		2.0110organic molecular entitymetabolite
ethylmaleimide
Ethylmaleimide: A sulfhydryl reagent that is widely used in experimental biochemical studies.		3.0410maleimidesanticoronaviral agent;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor;
EC 2.7.1.1 (hexokinase) inhibitor
fenamic acid
fenamic acid: has chloride and potassium channel-blocking activity; RN given refers to parent cpd. fenamic acid : An aminobenzoic acid that is the N-phenyl derivative of anthranilic acid. It acts as a parent skeleton for the synthesis of several non-steroidal anti-inflammatory drugs.		2.0510aminobenzoic acid;
secondary amino compound		membrane transport modulator
nabumetone
Nabumetone: A butanone non-steroidal anti-inflammatory drug and cyclooxygenase-2 (COX2) inhibitor that is used in the management of pain associated with OSTEOARTHRITIS and RHEUMATOID ARTHRITIS.. nabumetone : A methyl ketone that is 2-butanone in which one of the methyl hydrogens at position 4 is replaced by a 6-methoxy-2-naphthyl group. A prodrug that is converted to the active metabolite, 6-methoxy-2-naphthylacetic acid, following oral administration. It is shown to have a slightly lower risk of gastrointestinal side effects than most other non-steroidal anti-inflammatory drugs.		2.0210methoxynaphthalene;
methyl ketone		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
nalidixic acid
[no description available]		2.04101,8-naphthyridine derivative;
monocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antimicrobial agent;
DNA synthesis inhibitor
netropsin
Netropsin: A basic polypeptide isolated from Streptomyces netropsis. It is cytotoxic and its strong, specific binding to A-T areas of DNA is useful to genetics research.		2.3920
nevirapine
Nevirapine: A potent, non-nucleoside reverse transcriptase inhibitor used in combination with nucleoside analogues for treatment of HIV INFECTIONS and AIDS.. nevirapine : A dipyridodiazepine that is 5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepine which is substituted by methyl, oxo, and cyclopropyl groups at positions 4, 6, and 11, respectively. A non-nucleoside reverse transcriptase inhibitor with activity against HIV-1, it is used in combination with other antiretrovirals for the treatment of HIV infection.		210cyclopropanes;
dipyridodiazepine		antiviral drug;
HIV-1 reverse transcriptase inhibitor
nifedipine
Nifedipine: A potent vasodilator agent with calcium antagonistic action. It is a useful anti-anginal agent that also lowers blood pressure.		2.4220C-nitro compound;
dihydropyridine;
methyl ester		calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent
nimetazepam
nimetazepam : A nitrazepam which is substituted at positions 1 by a methyl group. It is used as an anticonvulsant and as a hypnotic for the short-term management of insomnia.		2.05101,4-benzodiazepinone;
C-nitro compound		anticonvulsant;
antispasmodic drug;
GABA modulator;
sedative
nitrazepam
Nitrazepam: A benzodiazepine derivative used as an anticonvulsant and hypnotic.. nitrazepam : A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one which is substituted at positions 5 and 7 by phenyl and nitro groups, respectively. It is used as a hypnotic for the short-term management of insomnia and for the treatment of epileptic spasms in infants (West's syndrome).		2.45201,4-benzodiazepinone;
C-nitro compound		anticonvulsant;
antispasmodic drug;
drug metabolite;
GABA modulator;
sedative
norfloxacin
Norfloxacin: A synthetic fluoroquinolone (FLUOROQUINOLONES) with broad-spectrum antibacterial activity against most gram-negative and gram-positive bacteria. Norfloxacin inhibits bacterial DNA GYRASE.. norfloxacin : A quinolinemonocarboxylic acid with broad-spectrum antibacterial activity against most gram-negative and gram-positive bacteria. Norfloxacin is bactericidal and its mode of action depends on blocking of bacterial DNA replication by binding itself to an enzyme called DNA gyrase.		2.4110fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antibacterial drug;
DNA synthesis inhibitor;
environmental contaminant;
xenobiotic
nortriptyline
Nortriptyline: A metabolite of AMITRIPTYLINE that is also used as an antidepressive agent. Nortriptyline is used in major depression, dysthymia, and atypical depressions.. nortriptyline : An organic tricyclic compound that is 10,11-dihydro-5H-dibenzo[a,d][7]annulene substituted by a 3-(methylamino)propylidene group at position 5. It is an active metabolite of amitriptyline.		2.6530organic tricyclic compound;
secondary amine		adrenergic uptake inhibitor;
analgesic;
antidepressant;
antineoplastic agent;
apoptosis inducer;
drug metabolite
ofloxacin
Ofloxacin: A synthetic fluoroquinolone antibacterial agent that inhibits the supercoiling activity of bacterial DNA GYRASE, halting DNA REPLICATION.. 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid : An oxazinoquinoline that is 2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinolin-7-one substituted by methyl, carboxy, fluoro, and 4-methylpiperazin-1-yl groups at positions 3, 6, 9, and 10, respectively.. ofloxacin : A racemate comprising equimolar amounts of levofloxacin and dextrofloxacin. It is a synthetic fluoroquinolone antibacterial agent which inhibits the supercoiling activity of bacterial DNA gyrase, halting DNA replication.		4.8113-oxo monocarboxylic acid;
N-arylpiperazine;
N-methylpiperazine;
organofluorine compound;
oxazinoquinoline
orphenadrine
Orphenadrine: A muscarinic antagonist used to treat drug-induced parkinsonism and to relieve pain from muscle spasm.. orphenadrine : A tertiary amino compound which is the phenyl-o-tolylmethyl ether of 2-(dimethylamino)ethanol.		1.9410ether;
tertiary amino compound		antidyskinesia agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic
oxazepam
Oxazepam: A benzodiazepine used in the treatment of anxiety, alcohol withdrawal, and insomnia.. oxazepam : A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one substituted by a chloro group at position 7, a hydroxy group at position 3 and phenyl group at position 5.		4401,4-benzodiazepinone;
organochlorine compound		anxiolytic drug;
environmental contaminant;
xenobiotic
oxiracetam
oxiracetam: structure in first source		2.0510organonitrogen compound;
organooxygen compound
oxotremorine
Oxotremorine: A non-hydrolyzed muscarinic agonist used as a research tool.		2.3320N-alkylpyrrolidine
oxprenolol
Oxprenolol: A beta-adrenergic antagonist used in the treatment of hypertension, angina pectoris, arrhythmias, and anxiety.		2.4420aromatic ether
oxyphenbutazone
Oxyphenbutazone: A non-steroidal anti-inflammatory drug. Oxyphenbutazone eyedrops have been used abroad in the management of postoperative ocular inflammation, superficial eye injuries, and episcleritis. (From AMA, Drug Evaluations Annual, 1994, p2000) It had been used by mouth in rheumatic disorders such as ankylosing spondylitis, osteoarthritis, and rheumatoid arthritis but such use is no longer considered justified owing to the risk of severe hematological adverse effects. (From Martindale, The Extra Pharmacopoeia, 30th ed, p27). oxyphenbutazone : A metabolite of phenylbutazone obtained by hydroxylation at position 4 of one of the phenyl rings. Commonly used (as its hydrate) to treat pain, swelling and stiffness associated with arthritis and gout, it was withdrawn from the market 1984 following association with blood dyscrasis and Stevens-Johnson syndrome.		3.9720phenols;
pyrazolidines		antimicrobial agent;
antineoplastic agent;
antipyretic;
drug metabolite;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite
quinone
benzoquinone : The simplest members of the class of benzoquinones, consisting of cyclohexadiene which is substituted by two oxo groups.. 1,4-benzoquinone : The simplest member of the class of 1,4-benzoquinones, obtained by the formal oxidation of hydroquinone to the corresponding diketone. It is a metabolite of benzene.. quinone : Compounds having a fully conjugated cyclic dione structure, such as that of benzoquinones, derived from aromatic compounds by conversion of an even number of -CH= groups into -C(=O)- groups with any necessary rearrangement of double bonds (polycyclic and heterocyclic analogues are included).		7.537101,4-benzoquinonescofactor;
human xenobiotic metabolite;
mouse metabolite
papaverine
Papaverine: An alkaloid found in opium but not closely related to the other opium alkaloids in its structure or pharmacological actions. It is a direct-acting smooth muscle relaxant used in the treatment of impotence and as a vasodilator, especially for cerebral vasodilation. The mechanism of its pharmacological actions is not clear, but it apparently can inhibit phosphodiesterases and it may have direct actions on calcium channels.. papaverine : A benzylisoquinoline alkaloid that is isoquinoline substituted by methoxy groups at positions 6 and 7 and a 3,4-dimethoxybenzyl group at position 1. It has been isolated from Papaver somniferum.		2.6530benzylisoquinoline alkaloid;
dimethoxybenzene;
isoquinolines		antispasmodic drug;
vasodilator agent
4-chlorophenol
4-chlorophenol: used as a root canal irrigant. 4-chlorophenol : A monochlorophenol substituted at the pare position by a chlorine atom.		3.0750monochlorophenol
4-dichlorobenzene
dichlorobenzene : Any member of the class of chlorobenzenes carrying two chloro groups at unspecified positions.. 1,4-dichlorobenzene : A dichlorobenzene carrying chloro groups at positions 1 and 4.		5.33180dichlorobenzeneinsecticide
pargyline
Pargyline: A monoamine oxidase inhibitor with antihypertensive properties.		2.730aromatic amine
pentobarbital
Pentobarbital: A short-acting barbiturate that is effective as a sedative and hypnotic (but not as an anti-anxiety) agent and is usually given orally. It is prescribed more frequently for sleep induction than for sedation but, like similar agents, may lose its effectiveness by the second week of continued administration. (From AMA Drug Evaluations Annual, 1994, p236). pentobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and sec-pentyl groups.		4.1650barbituratesGABAA receptor agonist
perphenazine
Perphenazine: An antipsychotic phenothiazine derivative with actions and uses similar to those of CHLORPROMAZINE.. perphenazine : A phenothiazine derivative in which the phenothiazine tricycle carries a chloro substituent at the 2-position and a 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl group at N-10.		2.3820N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines		antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug
phenacetin
Saridon: contains phenacetin, caffeine, propyphenazone & pyrithyldione		9.1450acetamides;
aromatic ether		cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug
phenazopyridine
Phenazopyridine: A local anesthetic that has been used in urinary tract disorders. Its use is limited by problems with toxicity (primarily blood disorders) and potential carcinogenicity.. phenazopyridine : A diaminopyridine that is 2,6-diaminopyridine substituted at position 3 by a phenylazo group. A local anesthetic that has topical analgesic effect on mucosa lining of the urinary tract. Its use is limited by problems with toxicity (primarily blood disorders) and potential carcinogenicity.		2.0210diaminopyridine;
monoazo compound		anticoronaviral agent;
carcinogenic agent;
local anaesthetic;
non-narcotic analgesic
phenazine
[no description available]		2.0510azaarene;
heteranthrene;
mancude organic heterotricyclic parent;
phenazines;
polycyclic heteroarene
phenobarbital
Phenobarbital: A barbituric acid derivative that acts as a nonselective central nervous system depressant. It potentiates GAMMA-AMINOBUTYRIC ACID action on GABA-A RECEPTORS, and modulates chloride currents through receptor channels. It also inhibits glutamate induced depolarizations.. phenobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and phenyl groups.		6.79490barbituratesanticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative
phenolphthalein
Phenolphthalein: An acid-base indicator which is colorless in acid solution, but turns pink to red as the solution becomes alkaline. It is used medicinally as a cathartic.		3.830phenols
phenolsulfonphthalein
Phenolsulfonphthalein: Red dye, pH indicator, and diagnostic aid for determination of renal function. It is used also for studies of the gastrointestinal and other systems.. phenol red : 3H-2,1-Benzoxathiole 1,1-dioxide in which both of the hydrogens at position 3 have been substituted by 4-hydroxyphenyl groups. A pH indicator changing colour from yellow below pH 6.8 to bright pink above pH 8.2, it is commonly used as an indicator in cell cultures and in home swimming pool test kits. It is also used in the (now infrequently performed) phenolsulfonphthalein (PSP) test for estimation of overall blood flow through the kidney.		1.92102,1-benzoxathiole;
arenesulfonate ester;
phenols;
sultone		acid-base indicator;
diagnostic agent;
two-colour indicator
4-phenylbutyric acid
4-phenylbutyric acid: RN refers to the parent cpd. 4-phenylbutyric acid : A monocarboxylic acid the structure of which is that of butyric acid substituted with a phenyl group at C-4. It is a histone deacetylase inhibitor that displays anticancer activity. It inhibits cell proliferation, invasion and migration and induces apoptosis in glioma cells. It also inhibits protein isoprenylation, depletes plasma glutamine, increases production of foetal haemoglobin through transcriptional activation of the gamma-globin gene and affects hPPARgamma activation.		1.9510monocarboxylic acidantineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug
phenylbutazone
Phenylbutazone: A butyl-diphenyl-pyrazolidinedione that has anti-inflammatory, antipyretic, and analgesic activities. It has been used in ANKYLOSING SPONDYLITIS; RHEUMATOID ARTHRITIS; and REACTIVE ARTHRITIS.. phenylbutazone : A member of the class of pyrazolidines that is 1,2-diphenylpyrazolidine-3,5-dione carrying a butyl group at the 4-position.		11.91180pyrazolidinesantirheumatic drug;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
o-phthalaldehyde
o-Phthalaldehyde: A reagent that forms fluorescent conjugation products with primary amines. It is used for the detection of many biogenic amines, peptides, and proteins in nanogram quantities in body fluids.. phthalaldehyde : A dialdehyde in which two formyl groups are attached to adjacent carbon centres on a benzene ring.		1.9510benzaldehydes;
dialdehyde		epitope
pindolol
Pindolol: A moderately lipophilic beta blocker (ADRENERGIC BETA-ANTAGONISTS). It is non-cardioselective and has intrinsic sympathomimetic actions, but little membrane-stabilizing activity. (From Martindale, The Extra Pharmocopoeia, 30th ed, p638). pindolol : A member of the class of indols which is the 2-hydroxy-3-(isopropylamino)propyl ether derivative of 1H-indol-4-ol.		2.6830indoles;
secondary amine		antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
serotonergic antagonist;
vasodilator agent
potassium chloride
Potassium Chloride: A white crystal or crystalline powder used in BUFFERS; FERTILIZERS; and EXPLOSIVES. It can be used to replenish ELECTROLYTES and restore WATER-ELECTROLYTE BALANCE in treating HYPOKALEMIA.. potassium chloride : A metal chloride salt with a K(+) counterion.		2.4620inorganic chloride;
inorganic potassium salt;
potassium salt		fertilizer
4-aminobenzoic acid
para-Aminobenzoates: Benzoic acids, salts, or esters that contain an amino group attached to carbon number 4 of the benzene ring structure.. 4-aminobenzoate : An aromatic amino-acid anion that is the conjugate base of 4-aminobenzoic acid.		2.0210aminobenzoate;
aromatic amino-acid anion		Escherichia coli metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
practolol
Practolol: A beta-1 adrenergic antagonist that has been used in the emergency treatment of CARDIAC ARRYTHMIAS.. practolol : N-(4-Hydroxyphenyl)acetamide in which the hydrogen of the phenolic hydroxy group is substituted by a 3-(isopropylaminoamino)-2-hydroxypropyl group. A selective beta blocker, it has been used in the emergency treatment of cardiac arrhythmias.		2.6930acetamides;
ethanolamines;
propanolamine;
secondary alcohol;
secondary amino compound		anti-arrhythmia drug;
beta-adrenergic antagonist
praziquantel
azinox: Russian drug		7.6730isoquinolines
primaquine
Primaquine: An aminoquinoline that is given by mouth to produce a radical cure and prevent relapse of vivax and ovale malarias following treatment with a blood schizontocide. It has also been used to prevent transmission of falciparum malaria by those returning to areas where there is a potential for re-introduction of malaria. Adverse effects include anemias and GI disturbances. (From Martindale, The Extra Pharmacopeia, 30th ed, p404). primaquine : An N-substituted diamine that is pentane-1,4-diamine substituted by a 6-methoxyquinolin-8-yl group at the N(4) position. It is a drug used in the treatment of malaria and Pneumocystis pneumonia.		2.1310aminoquinoline;
aromatic ether;
N-substituted diamine		antimalarial
proadifen
Proadifen: An inhibitor of drug metabolism and CYTOCHROME P-450 ENZYME SYSTEM activity.		3.5690diarylmethane
procainamide
Procainamide: A class Ia antiarrhythmic drug that is structurally-related to PROCAINE.. procainamide : A benzamide that is 4-aminobenzamide substituted on the amide N by a 2-(diethylamino)ethyl group. It is a pharmaceutical antiarrhythmic agent used for the medical treatment of cardiac arrhythmias.		1.9410benzamidesanti-arrhythmia drug;
platelet aggregation inhibitor;
sodium channel blocker
procaine
Procaine: A local anesthetic of the ester type that has a slow onset and a short duration of action. It is mainly used for infiltration anesthesia, peripheral nerve block, and spinal block. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1016).. procaine : A benzoate ester, formally the result of esterification of 4-aminobenzoic acid with 2-diethylaminoethanol but formed experimentally by reaction of ethyl 4-aminobenzoate with 2-diethylaminoethanol.		2.940benzoate ester;
substituted aniline;
tertiary amino compound		central nervous system depressant;
drug allergen;
local anaesthetic;
peripheral nervous system drug
procarbazine
Procarbazine: An antineoplastic agent used primarily in combination with mechlorethamine, vincristine, and prednisone (the MOPP protocol) in the treatment of Hodgkin's disease.. procarbazine : A benzamide obtained by formal condensation of the carboxy group of 4-[(2-methylhydrazino)methyl]benzoic acid with the amino group of isopropylamine. An antineoplastic chemotherapy drug used for treatment of Hodgkin's lymphoma. Metabolism yields azo-procarbazine and hydrogen peroxide, which results in the breaking of DNA strands.		3.0510benzamides;
hydrazines		antineoplastic agent
prochlorperazine
Prochlorperazine: A phenothiazine antipsychotic used principally in the treatment of NAUSEA; VOMITING; and VERTIGO. It is more likely than CHLORPROMAZINE to cause EXTRAPYRAMIDAL DISORDERS. (From Martindale, The Extra Pharmacopoeia, 30th ed, p612). prochlorperazine : A member of the class of phenothiazines that is 10H-phenothiazine having a chloro substituent at the 2-position and a 3-(4-methylpiperazin-1-yl)propyl group at the N-10 position.		1.9610N-alkylpiperazine;
N-methylpiperazine;
organochlorine compound;
phenothiazines		alpha-adrenergic antagonist;
antiemetic;
cholinergic antagonist;
dopamine receptor D2 antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic
promazine
Promazine: A phenothiazine with actions similar to CHLORPROMAZINE but with less antipsychotic activity. It is primarily used in short-term treatment of disturbed behavior and as an antiemetic.. promazine : A phenothiazine deriative in which the phenothiazine tricycle has a 3-(dimethylaminopropyl) group at the N-10 position.		3.0550phenothiazines;
tertiary amine		antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
serotonergic antagonist
promethazine
Promethazine: A phenothiazine derivative with histamine H1-blocking, antimuscarinic, and sedative properties. It is used as an antiallergic, in pruritus, for motion sickness and sedation, and also in animals.. promethazine : A tertiary amine that is a substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropan-2-amine moiety.		2.3520phenothiazines;
tertiary amine		anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
sedative
pronethalol
pronethalol: was heading 1964-94 (Prov 1964-66); NAPHTHYLISOPROTERENOL was see PRONETHALOL 1977-94; use ETHANOLAMINES to search PRONETHALOL 1966-94		1.9610naphthalenes
propidium
Propidium: Quaternary ammonium analog of ethidium; an intercalating dye with a specific affinity to certain forms of DNA and, used as diiodide, to separate them in density gradients; also forms fluorescent complexes with cholinesterase which it inhibits.		2.0210phenanthridines;
quaternary ammonium ion		fluorochrome;
intercalator
propoxur
Propoxur: A carbamate insecticide.. propoxur : A carbamate ester that is phenyl methylcarbamate substituted at position 2 by a propan-2-yloxy group.		1.9510aromatic ether;
carbamate ester		acaricide;
agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
propranolol
Propranolol: A widely used non-cardioselective beta-adrenergic antagonist. Propranolol has been used for MYOCARDIAL INFARCTION; ARRHYTHMIA; ANGINA PECTORIS; HYPERTENSION; HYPERTHYROIDISM; MIGRAINE; PHEOCHROMOCYTOMA; and ANXIETY but adverse effects instigate replacement by newer drugs.. propranolol : A propanolamine that is propan-2-ol substituted by a propan-2-ylamino group at position 1 and a naphthalen-1-yloxy group at position 3.		2.940naphthalenes;
propanolamine;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic
propyl gallate
Propyl Gallate: Antioxidant for foods, fats, oils, ethers, emulsions, waxes, and transformer oils.		1.9410trihydroxybenzoic acid
pyrilamine
Pyrilamine: A histamine H1 antagonist. It has mild hypnotic properties and some local anesthetic action and is used for allergies (including skin eruptions) both parenterally and locally. It is a common ingredient of cold remedies.. mepyramine : An ethylenediamine derivative that is ethylenediamine in which one of the amino nitrogens is substituted by two methyl groups and the remaining amino nitrogen is substituted by a 4-methoxybenzyl and a pyridin-2-yl group.		2.4120aromatic ether;
ethylenediamine derivative		H1-receptor antagonist
pyrimethamine
Maloprim: contains above 2 cpds		4.811aminopyrimidine;
monochlorobenzenes		antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
quipazine
Quipazine: A pharmacologic congener of serotonin that contracts smooth muscle and has actions similar to those of tricyclic antidepressants. It has been proposed as an oxytocic.		1.9910piperazines;
pyridines
resorcinol
resorcinol: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7951. resorcinol : A benzenediol that is benzene dihydroxylated at positions 1 and 3.		10.08140benzenediol;
phenolic donor;
resorcinols		erythropoietin inhibitor;
sensitiser
roxarsone
Roxarsone: An arsenic derivative which has anticoccidial action and promotes growth in animals.. roxarsone : An organoarsonic acid where the organyl group is 4-hydroxy-3-nitrophenyl.		7.03102-nitrophenols;
organoarsonic acid		agrochemical;
animal growth promotant;
antibacterial drug;
coccidiostat
safrole
Safrole: A member of the BENZODIOXOLES that is a constituent of several VOLATILE OILS, notably SASSAFRAS oil. It is a precursor in the synthesis of the insecticide PIPERONYL BUTOXIDE and the drug N-methyl-3,4-methylenedioxyamphetamine (MDMA).. safrole : A member of the class of benzodioxoles that is 1,3-benzodioxole which is substituted by an allyl group at position 5. It is found in several plants, including black pepper, cinnamon and nutmeg, and is present in several essential oils, notably that of sassafras. It has insecticidal properties and has been used as a topical antiseptic. Although not thought to pose a significant carcinogenic risk to humans, findings of weak carcinogenicity in rats have resulted in the banning of its (previously widespread) use in perfumes and soaps, and as a food additive.		4.1950benzodioxolesflavouring agent;
insecticide;
metabolite;
plant metabolite
salicyl alcohol
salicyl alcohol: RN given refers to parent cpd; saligenin is the aglycone of salicin; structure; it is oxidatively metabolized to gentisic acid. salicyl alcohol : A hydroxybenzyl alcohol that is phenol substituted by a hydroxymethyl group at C-2.		1.9610aromatic primary alcohol;
hydroxybenzyl alcohol		human urinary metabolite
salicylamide
salamide: a major impurity of hydrochlorothiazide; structure in first source		1.9610phenols;
salicylamides		antirheumatic drug;
non-narcotic analgesic
secobarbital
Secobarbital: A barbiturate that is used as a sedative. Secobarbital is reported to have no anti-anxiety activity.. secobarbital : A member of the class of barbiturates that is barbituric acid in which the hydrogens at position 5 are substituted by prop-2-en-1-yl and pentan-2-yl groups.		2.0210barbituratesanaesthesia adjuvant;
GABA modulator;
sedative
sevoflurane
Sevoflurane: A non-explosive inhalation anesthetic used in the induction and maintenance of general anesthesia. It does not cause respiratory irritation and may also prevent PLATELET AGGREGATION.. sevoflurane : An ether compound having fluoromethyl and 1,1,1,3,3,3-hexafluoroisopropyl as the two alkyl groups.		2.7630ether;
organofluorine compound		central nervous system depressant;
inhalation anaesthetic;
platelet aggregation inhibitor
sulfadiazine
Sulfadiazine: One of the short-acting SULFONAMIDES used in combination with PYRIMETHAMINE to treat toxoplasmosis in patients with acquired immunodeficiency syndrome and in newborns with congenital infections.. sulfadiazine : A sulfonamide consisting of pyrimidine with a 4-aminobenzenesulfonamido group at the 2-position.. diazine : The parent structure of the diazines.		2.3820pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
antimicrobial agent;
antiprotozoal drug;
coccidiostat;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic
sodium fluoride
[no description available]		4.811fluoride saltmutagen
sodium iodide
Sodium Iodide: A compound forming white, odorless deliquescent crystals and used as iodine supplement, expectorant or in its radioactive (I-131) form as an diagnostic aid, particularly for thyroid function tests.. sodium iodide : A metal iodide salt with a Na(+) counterion.		6.9310inorganic sodium salt;
iodide salt
sotalol
Sotalol: An adrenergic beta-antagonist that is used in the treatment of life-threatening arrhythmias.. sotalol : A sulfonamide that is N-phenylmethanesulfonamide in which the phenyl group is substituted at position 4 by a 1-hydroxy-2-(isopropylamino)ethyl group. It has both beta-adrenoreceptor blocking (Vaughan Williams Class II) and cardiac action potential duration prolongation (Vaughan Williams Class III) antiarrhythmic properties. It is used (usually as the hydrochloride salt) for the management of ventricular and supraventricular arrhythmias.		1.9610ethanolamines;
secondary alcohol;
secondary amino compound;
sulfonamide		anti-arrhythmia drug;
beta-adrenergic antagonist;
environmental contaminant;
xenobiotic
stearic acid
octadecanoic acid : A C18 straight-chain saturated fatty acid component of many animal and vegetable lipids. As well as in the diet, it is used in hardening soaps, softening plastics and in making cosmetics, candles and plastics.		3.1960long-chain fatty acid;
saturated fatty acid;
straight-chain saturated fatty acid		algal metabolite;
Daphnia magna metabolite;
human metabolite;
plant metabolite
vorinostat
Vorinostat: A hydroxamic acid and anilide derivative that acts as a HISTONE DEACETYLASE inhibitor. It is used in the treatment of CUTANEOUS T-CELL LYMPHOMA and SEZARY SYNDROME.. vorinostat : A dicarboxylic acid diamide comprising suberic (octanedioic) acid coupled to aniline and hydroxylamine. A histone deacetylase inhibitor, it is marketed under the name Zolinza for the treatment of cutaneous T cell lymphoma (CTCL).		2.0310dicarboxylic acid diamide;
hydroxamic acid		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
sulfadimethoxine
Sulfadimethoxine: A sulfanilamide that is used as an anti-infective agent.. sulfadimethoxine : A sulfonamide consisting of pyrimidine having methoxy substituents at the 2- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position.		2.0510aromatic ether;
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
antimicrobial agent;
drug allergen;
environmental contaminant;
xenobiotic
sulfamerazine
[no description available]		2.7330pyrimidines;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
drug allergen
sulfamethoxazole
Sulfamethoxazole: A bacteriostatic antibacterial agent that interferes with folic acid synthesis in susceptible bacteria. Its broad spectrum of activity has been limited by the development of resistance. (From Martindale, The Extra Pharmacopoeia, 30th ed, p208). sulfamethoxazole : An isoxazole (1,2-oxazole) compound having a methyl substituent at the 5-position and a 4-aminobenzenesulfonamido group at the 3-position.		2.6620isoxazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial agent;
antiinfective agent;
antimicrobial agent;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
epitope;
P450 inhibitor;
xenobiotic
sulfamethoxypyridazine
Sulfamethoxypyridazine: A sulfanilamide antibacterial agent.. sulfamethoxypyridazine : A sulfonamide consisting of pyridazine having a methoxy substituent at the 6-position and a 4-aminobenzenesulfonamido group at the 3-position.		1.9410pyridazines;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfamonomethoxine
Sulfamonomethoxine: Long acting sulfonamide antibacterial agent.		2.0510benzenes;
sulfonamide
sulfanilamide
[no description available]		5.3180substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial agent;
drug allergen;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
sulfaphenazole
Sulfaphenazole: A sulfonilamide anti-infective agent.. sulfaphenazole : A sulfonamide that is sulfanilamide in which the sulfonamide nitrogen is substituted by a 1-phenyl-1H-pyrazol-5-yl group. It is a selective inhibitor of cytochrome P450 (CYP) 2C9 isozyme, and antibacterial agent.		2.3720primary amino compound;
pyrazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor;
P450 inhibitor
sulfapyridine
Sulfapyridine: Antibacterial, potentially toxic, used to treat certain skin diseases.. sulfapyridine : A sulfonamide consisting of pyridine with a 4-aminobenzenesulfonamido group at the 2-position.		3.5420pyridines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
dermatologic drug;
drug allergen;
environmental contaminant;
xenobiotic
sulfasalazine
Sulfasalazine: A drug that is used in the management of inflammatory bowel diseases. Its activity is generally considered to lie in its metabolic breakdown product, 5-aminosalicylic acid (see MESALAMINE) released in the colon. (From Martindale, The Extra Pharmacopoeia, 30th ed, p907). sulfasalazine : An azobenzene consisting of diphenyldiazene having a carboxy substituent at the 4-position, a hydroxy substituent at the 3-position and a 2-pyridylaminosulphonyl substituent at the 4'-position.		3.5320
sulfisomidine
Sulfisomidine: A sulfanilamide antibacterial agent.. sulfisomidine : A sulfonamide consisting of pyrimidine having methyl substituents at the 2- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position.		2.0510pyrimidines;
sulfonamide antibiotic;
sulfonamide		antiinfective agent
sulfisoxazole
Sulfisoxazole: A short-acting sulfonamide antibacterial with activity against a wide range of gram- negative and gram-positive organisms.. sulfisoxazole : A sulfonamide antibacterial with an oxazole substituent. It has antibiotic activity against a wide range of gram-negative and gram-positive organisms.		2.3720isoxazoles;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
drug allergen
sulfobromophthalein
Sulfobromophthalein: A phenolphthalein that is used as a diagnostic aid in hepatic function determination.		2.63302-benzofurans;
organobromine compound;
organosulfonic acid;
phenols		dye
sulforaphane
sulforaphane: from Cardaria draba L.. sulforaphane : An isothiocyanate having a 4-(methylsulfinyl)butyl group attached to the nitrogen.		6.7132isothiocyanate;
sulfoxide		antineoplastic agent;
antioxidant;
EC 3.5.1.98 (histone deacetylase) inhibitor;
plant metabolite
sulpiride
Sulpiride: A dopamine D2-receptor antagonist. It has been used therapeutically as an antidepressant, antipsychotic, and as a digestive aid. (From Merck Index, 11th ed). sulpiride : A member of the class of benzamides obtained from formal condensation between the carboxy group of 2-methoxy-5-sulfamoylbenzoic acid and the primary amino group of (1-ethylpyrrolidin-2-yl)methylamine.		2.0210benzamides;
N-alkylpyrrolidine;
sulfonamide		antidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist
suprofen
Suprofen: An IBUPROFEN-type anti-inflammatory analgesic and antipyretic. It inhibits prostaglandin synthesis and has been proposed as an anti-arthritic.. suprofen : An aromatic ketone that is thiophene substituted at C-2 by a 4-(1-carboxyethyl)benzoyl group.		210aromatic ketone;
monocarboxylic acid;
thiophenes		antirheumatic drug;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
tegafur
[no description available]		2.0410organohalogen compound;
pyrimidines
temozolomide
[no description available]		4.811imidazotetrazine;
monocarboxylic acid amide;
triazene derivative		alkylating agent;
antineoplastic agent;
prodrug
terbutaline
Terbutaline: A selective beta-2 adrenergic agonist used as a bronchodilator and tocolytic.. terbutaline : A member of the class of phenylethanolamines that is catechol substituted at position 5 by a 2-(tert-butylamino)-1-hydroxyethyl group.		1.9610phenylethanolamines;
resorcinols		anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hypoglycemic agent;
sympathomimetic agent;
tocolytic agent
terfenadine
Terfenadine: A selective histamine H1-receptor antagonist devoid of central nervous system depressant activity. The drug was used for ALLERGY but withdrawn due to causing LONG QT SYNDROME.		2.0210diarylmethane
tetracaine
Tetracaine: A potent local anesthetic of the ester type used for surface and spinal anesthesia.. tetracaine : A benzoate ester in which 4-N-butylbenzoic acid and 2-(dimethylamino)ethanol have combined to form the ester bond; a local ester anaesthetic (ester caine) used for surface and spinal anaesthesia.		2.0210benzoate ester;
tertiary amino compound		local anaesthetic
krypton
Krypton: A noble gas that is found in the atmosphere. It has the atomic symbol Kr, atomic number 36, atomic weight 83.80, and has been used in electric bulbs.		2.0610monoatomic krypton;
noble gas atom;
p-block element atom
thalidomide
Thalidomide: A piperidinyl isoindole originally introduced as a non-barbiturate hypnotic, but withdrawn from the market due to teratogenic effects. It has been reintroduced and used for a number of immunological and inflammatory disorders. Thalidomide displays immunosuppressive and anti-angiogenic activity. It inhibits release of TUMOR NECROSIS FACTOR-ALPHA from monocytes, and modulates other cytokine action.. thalidomide : A racemate comprising equimolar amounts of R- and S-thalidomide.. 2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione : A dicarboximide that is isoindole-1,3(2H)-dione in which the hydrogen attached to the nitrogen is substituted by a 2,6-dioxopiperidin-3-yl group.		4.2630phthalimides;
piperidones
theobromine
Theobromine: 3,7-Dimethylxanthine. The principle alkaloid in Theobroma cacao (the cacao bean) and other plants. A xanthine alkaloid that is used as a bronchodilator and as a vasodilator. It has a weaker diuretic activity than THEOPHYLLINE and is also a less powerful stimulant of smooth muscle. It has practically no stimulant effect on the central nervous system. It was formerly used as a diuretic and in the treatment of angina pectoris and hypertension. (From Martindale, The Extra Pharmacopoeia, 30th ed, pp1318-9). theobromine : A dimethylxanthine having the two methyl groups located at positions 3 and 7. A purine alkaloid derived from the cacao plant, it is found in chocolate, as well as in a number of other foods, and is a vasodilator, diuretic and heart stimulator.		1.9410dimethylxanthineadenosine receptor antagonist;
bronchodilator agent;
food component;
human blood serum metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent
thioridazine
Thioridazine: A phenothiazine antipsychotic used in the management of PHYCOSES, including SCHIZOPHRENIA.. thioridazine : A phenothiazine derivative having a methylsulfanyl subsitituent at the 2-position and a (1-methylpiperidin-2-yl)ethyl] group at the N-10 position.		2.4220phenothiazines;
piperidines		alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
thiotepa
Thiotepa: A very toxic alkylating antineoplastic agent also used as an insect sterilant. It causes skin, gastrointestinal, CNS, and bone marrow damage. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), thiotepa may reasonably be anticipated to be a carcinogen (Merck Index, 11th ed).		3.0510aziridines
tiaprofenic acid
tiaprofenic acid: RN given refers to parent cpd; structure. tiaprofenic acid : An aromatic ketone that is thiophene substituted at C-2 by benzoyl and at C-4 by a 1-carboxyethyl group.		210aromatic ketone;
monocarboxylic acid;
thiophenes		drug allergen;
non-steroidal anti-inflammatory drug
tilorone
Tilorone: An antiviral agent used as its hydrochloride. It is the first recognized synthetic, low-molecular-weight compound that is an orally active interferon inducer, and is also reported to have antineoplastic and anti-inflammatory actions.. tilorone : A member of the class of fluoren-9-ones that is 9H-fluoren-9-one which is substituted by a 2-(diethylamino)ethoxy group at positions 2 and 7. It is an interferon inducer and a selective alpha7 nicotinic acetylcholine receptor (alpha7 nAChR) agonist. Its hydrochloride salt is used as an antiviral drug.		1.9610aromatic ether;
diether;
fluoren-9-ones;
tertiary amino compound		anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
interferon inducer;
nicotinic acetylcholine receptor agonist
nikethamide
Nikethamide: A central nervous system stimulant. It was formerly used in the treatment of barbiturate overdose but is now considered to be of no value for such purposes and may be dangerous. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1229)		1.9410pyridinecarboxamide
tolbutamide
Tolbutamide: A sulphonylurea hypoglycemic agent with actions and uses similar to those of CHLORPROPAMIDE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p290). tolbutamide : An N-sulfonylurea that consists of 1-butylurea having a tosyl group attached at the 3-position.		3.0550N-sulfonylureahuman metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker
tolnaftate
[no description available]		2.0510monothiocarbamic esterantifungal drug
ultram
2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol : A tertiary alcohol that is cyclohexanol substituted at positions 1 and 2 by 3-methoxyphenyl and dimethylaminomethyl groups respectively.		2.0210aromatic ether;
tertiary alcohol;
tertiary amino compound
tranexamic acid
Tranexamic Acid: Antifibrinolytic hemostatic used in severe hemorrhage.		2.0210amino acid
triacetin
Triacetin: A triglyceride that is used as an antifungal agent.. triacetin : A triglyceride obtained by acetylation of the three hydroxy groups of glycerol. It has fungistatic properties (based on release of acetic acid) and has been used in the topical treatment of minor dermatophyte infections.		1.9510triglycerideadjuvant;
antifungal drug;
food additive carrier;
food emulsifier;
food humectant;
fuel additive;
plant metabolite;
solvent
bromoform
bromoform: structure		2.0210bromohydrocarbon;
bromomethanes
trientine
Trientine: An ethylenediamine derivative used as stabilizer for EPOXY RESINS, as ampholyte for ISOELECTRIC FOCUSING and as chelating agent for copper in HEPATOLENTICULAR DEGENERATION.. TETA : An azamacrocyle in which four nitrogen atoms at positions 1, 4, 8 and 11 of a fouteen-membered ring are each substituted with a carboxymethyl group.. 2,2,2-tetramine : A polyazaalkane that is decane in which the carbon atoms at positions 1, 4, 7 and 10 are replaced by nitrogens.		2.0410polyazaalkane;
tetramine		copper chelator
trifluoperazine
[no description available]		2.6830N-alkylpiperazine;
N-methylpiperazine;
organofluorine compound;
phenothiazines		antiemetic;
calmodulin antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor;
phenothiazine antipsychotic drug
triflupromazine
Triflupromazine: A phenothiazine used as an antipsychotic agent and as an antiemetic.. triflupromazine : A member of the class of phenothiazines that is 10H-phenothiazine having a trifluoromethyl subsitituent at the 2-position and a 3-(dimethylamino)propyl group at the N-10 position.		210organofluorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic
trihexyphenidyl
Trihexyphenidyl: One of the centrally acting MUSCARINIC ANTAGONISTS used for treatment of PARKINSONIAN DISORDERS and drug-induced extrapyramidal movement disorders and as an antispasmodic.		2.0410amine
tulobuterol
[no description available]		1.9610organochlorine compound
tyramine
[no description available]		2.6730monoamine molecular messenger;
primary amino compound;
tyramines		EC 3.1.1.8 (cholinesterase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter
urethane
[no description available]		5.58140carbamate esterfungal metabolite;
mutagen
vinca
Vinca: A plant genus of the family Apocynaceae.		6.9310alkaloid
2,3-bis(2-methoxy-4-nitro-5-sulfophenyl)-5-((phenylamino)carbonyl)-2h-tetrazolium hydroxide
2,3-bis(2-methoxy-4-nitro-5-sulfophenyl)-5-((phenylamino)carbonyl)-2H-tetrazolium hydroxide: structure given in first source		2.110
zinc chloride
zinc chloride: RN given refers to parent cpd. zinc dichloride : A compound of zinc and chloride ions in the ratio 1:2. It exists in four crystalline forms, in each of which the Zn(2+) ions are trigonal planar coordinated to four chloride ions.		2.4420inorganic chloride;
zinc molecular entity		astringent;
disinfectant;
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor;
Lewis acid
hydrocortisone acetate
hydrocortisone acetate: RN given refers to cpd without isomeric designation		2.4420cortisol ester;
tertiary alpha-hydroxy ketone
cortisone acetate
Cortisone Acetate: The acetate ester of cortisone that is used mainly for replacement therapy in adrenocortical insufficiency and in the treatment of many allergic and inflammatory disorders.		2.0510corticosteroid hormone
mitomycin
Mitomycin: An antineoplastic antibiotic produced by Streptomyces caespitosus. It is one of the bi- or tri-functional ALKYLATING AGENTS causing cross-linking of DNA and inhibition of DNA synthesis.. mitomycin : A family of aziridine-containing natural products isolated from Streptomyces caespitosus or Streptomyces lavendulae.		2.8940mitomycinalkylating agent;
antineoplastic agent
corticosterone
[no description available]		3.226011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone		human metabolite;
mouse metabolite
prednisolone
Prednisolone: A glucocorticoid with the general properties of the corticosteroids. It is the drug of choice for all conditions in which routine systemic corticosteroid therapy is indicated, except adrenal deficiency states.. prednisolone : A glucocorticoid that is prednisone in which the oxo group at position 11 has been reduced to the corresponding beta-hydroxy group. It is a drug metabolite of prednisone.		3.055011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
drug metabolite;
environmental contaminant;
immunosuppressive agent;
xenobiotic
estriol
hormonin: estrogen replacement; each tablet contains 600 ug micronized 17beta-estradiol, 270 ug estriol and 1.4 mg estrone. chlorapatite : A phosphate mineral with the formula Ca5(PO4)3Cl.		3.26016alpha-hydroxy steroid;
17beta-hydroxy steroid;
3-hydroxy steroid		estrogen;
human metabolite;
human xenobiotic metabolite;
mouse metabolite
lysergic acid diethylamide
Lysergic Acid Diethylamide: Semisynthetic derivative of ergot (Claviceps purpurea). It has complex effects on serotonergic systems including antagonism at some peripheral serotonin receptors, both agonist and antagonist actions at central nervous system serotonin receptors, and possibly effects on serotonin turnover. It is a potent hallucinogen, but the mechanisms of that effect are not well understood.. lysergic acid diethylamide : An ergoline alkaloid arising from formal condensation of lysergic acid with diethylamine.		3.4520ergoline alkaloid;
monocarboxylic acid amide;
organic heterotetracyclic compound		dopamine agonist;
hallucinogen;
serotonergic agonist
reserpine
Reserpine: An alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria. Reserpine inhibits the uptake of norepinephrine into storage vesicles resulting in depletion of catecholamines and serotonin from central and peripheral axon terminals. It has been used as an antihypertensive and an antipsychotic as well as a research tool, but its adverse effects limit its clinical use.. reserpine : An alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria.		2.3420alkaloid ester;
methyl ester;
yohimban alkaloid		adrenergic uptake inhibitor;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
first generation antipsychotic;
plant metabolite;
xenobiotic
phentolamine
Phentolamine: A nonselective alpha-adrenergic antagonist. It is used in the treatment of hypertension and hypertensive emergencies, pheochromocytoma, vasospasm of RAYNAUD DISEASE and frostbite, clonidine withdrawal syndrome, impotence, and peripheral vascular disease.. phentolamine : A substituted aniline that is 3-aminophenol in which the hydrogens of the amino group are replaced by 4-methylphenyl and 4,5-dihydro-1H-imidazol-2-ylmethyl groups respectively. An alpha-adrenergic antagonist, it is used for the treatment of hypertension.		1.9410imidazoles;
phenols;
substituted aniline;
tertiary amino compound		alpha-adrenergic antagonist;
vasodilator agent
thymidine
[no description available]		3.82120pyrimidine 2'-deoxyribonucleosideEscherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite
piperonyl butoxide
[no description available]		1.9510benzodioxolespesticide synergist
benzimidazole
1H-benzimidazole : The 1H-tautomer of benzimidazole.		8.8930benzimidazole;
polycyclic heteroarene
triethylenemelamine
Triethylenemelamine: Toxic alkylating agent used in industry; also as antineoplastic and research tool to produce chromosome aberrations and cancers.		7.87401,3,5-triazinesalkylating agent;
insect sterilant
2-aminophenol
[no description available]		1.9610aminophenolbacterial metabolite
bromouracil
Bromouracil: 5-Bromo-2,4(1H,3H)-pyrimidinedione. Brominated derivative of uracil that acts as an antimetabolite, substituting for thymine in DNA. It is used mainly as an experimental mutagen, but its deoxyriboside (BROMODEOXYURIDINE) is used to treat neoplasms.. 5-bromouracil : A pyrimidine having keto groups at the 2- and 4-positions and a bromo group at the 5-position. Used mainly as an experimental mutagen.		2.0110nucleobase analogue;
pyrimidines		mutagen
hydroxyproline
Hydroxyproline: A hydroxylated form of the imino acid proline. A deficiency in ASCORBIC ACID can result in impaired hydroxyproline formation.. hydroxyproline : A proline derivative that is proline substituted by at least one hydroxy group.		7.64304-hydroxyproline;
L-alpha-amino acid zwitterion		human metabolite;
mouse metabolite;
plant metabolite
thyroxine
Thyroxine: The major hormone derived from the thyroid gland. Thyroxine is synthesized via the iodination of tyrosines (MONOIODOTYROSINE) and the coupling of iodotyrosines (DIIODOTYROSINE) in the THYROGLOBULIN. Thyroxine is released from thyroglobulin by proteolysis and secreted into the blood. Thyroxine is peripherally deiodinated to form TRIIODOTHYRONINE which exerts a broad spectrum of stimulatory effects on cell metabolism.. thyroxine : An iodothyronine compound having iodo substituents at the 3-, 3'-, 5- and 5'-positions.		2.34202-halophenol;
iodophenol;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid;
thyroxine zwitterion;
thyroxine		antithyroid drug;
human metabolite;
mouse metabolite;
thyroid hormone
dextroamphetamine
Dextroamphetamine: The d-form of AMPHETAMINE. It is a central nervous system stimulant and a sympathomimetic. It has also been used in the treatment of narcolepsy and of attention deficit disorders and hyperactivity in children. Dextroamphetamine has multiple mechanisms of action including blocking uptake of adrenergics and dopamine, stimulating release of monamines, and inhibiting monoamine oxidase. It is also a drug of abuse and a psychotomimetic.. (S)-amphetamine : A 1-phenylpropan-2-amine that has S configuration.		2.35201-phenylpropan-2-amineadrenergic agent;
adrenergic uptake inhibitor;
dopamine uptake inhibitor;
dopaminergic agent;
neurotoxin;
sympathomimetic agent
carbachol
Carbachol: A slowly hydrolyzed CHOLINERGIC AGONIST that acts at both MUSCARINIC RECEPTORS and NICOTINIC RECEPTORS.		1.9410ammonium salt;
carbamate ester		cardiotonic drug;
miotic;
muscarinic agonist;
nicotinic acetylcholine receptor agonist;
non-narcotic analgesic
spironolactone
Spironolactone: A potassium sparing diuretic that acts by antagonism of aldosterone in the distal renal tubules. It is used mainly in the treatment of refractory edema in patients with congestive heart failure, nephrotic syndrome, or hepatic cirrhosis. Its effects on the endocrine system are utilized in the treatments of hirsutism and acne but they can lead to adverse effects. (From Martindale, The Extra Pharmacopoeia, 30th ed, p827). spironolactone : A steroid lactone that is 17alpha-pregn-4-ene-21,17-carbolactone substituted by an oxo group at position 3 and an alpha-acetylsulfanyl group at position 7.		2.05103-oxo-Delta(4) steroid;
oxaspiro compound;
steroid lactone;
thioester		aldosterone antagonist;
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
prednisolone acetate
prednisolone acetate: RN given refers to cpd with locant for acetate group in position 21 & (11 beta)-isomer		2.0510corticosteroid hormone
cyclobarbital
cyclobarbital: was heading 1977-94 (see under BARBITURATES 1977-90); CYCLOBARBITONE, HEXEMAL, & TETRAHYDROPHENOBARBITAL were see CYCLOBARBITAL 1977-94; use BARBITURATES to search CYCLOBARBITAL 1977-94; short to intermediate duration barbiturate used as hypnotic and sedative		2.0510barbiturates
aldosterone
[no description available]		2.372011beta-hydroxy steroid;
18-oxo steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid hormone;
mineralocorticoid;
primary alpha-hydroxy ketone;
steroid aldehyde		human metabolite;
mouse metabolite
allobarbital
allobarbital: was heading 1976-94 (see under BARBITURATES 1976-90); ALLOBARBITONE, DIALLYLBARBITAL, DIALLYLBARBITURIC ACID, & DIALLYLMAL were see ALLOBARBITAL 1976-94; use BARBITURATES to search ALLOBARBITAL 1976-94; a barbiturate derivative with effects of intermediate duration; at lower doses, it is used as a sedative; at higher doses, it displays hypnotic effects		2.0510barbiturates
prednisone
Prednisone: A synthetic anti-inflammatory glucocorticoid derived from CORTISONE. It is biologically inert and converted to PREDNISOLONE in the liver.. prednisone : A synthetic glucocorticoid drug that is particularly effective as an immunosuppressant, and affects virtually all of the immune system. Prednisone is a prodrug that is converted by the liver into prednisolone (a beta-hydroxy group instead of the oxo group at position 11), which is the active drug and also a steroid.		3.055011-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
immunosuppressive agent;
prodrug
estrone
Hydroxyestrones: Estrone derivatives substituted with one or more hydroxyl groups in any position. They are important metabolites of estrone and other estrogens.		8.7411017-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols		antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite
paramethasone
Paramethasone: A glucocorticoid with the general properties of corticosteroids. It has been used by mouth in the treatment of all conditions in which corticosteroid therapy is indicated except adrenal-deficiency states for which its lack of sodium-retaining properties makes it less suitable than HYDROCORTISONE with supplementary FLUDROCORTISONE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p737)		2.0510fluorinated steroid
dehydroepiandrosterone
Dehydroepiandrosterone: A major C19 steroid produced by the ADRENAL CORTEX. It is also produced in small quantities in the TESTIS and the OVARY. Dehydroepiandrosterone (DHEA) can be converted to TESTOSTERONE; ANDROSTENEDIONE; ESTRADIOL; and ESTRONE. Most of DHEA is sulfated (DEHYDROEPIANDROSTERONE SULFATE) before secretion.. dehydroepiandrosterone : An androstanoid that is androst-5-ene substituted by a beta-hydroxy group at position 3 and an oxo group at position 17. It is a naturally occurring steroid hormone produced by the adrenal glands.		1.941017-oxo steroid;
3beta-hydroxy-Delta(5)-steroid;
androstanoid		androgen;
human metabolite;
mouse metabolite
1,2,5,6-dibenzanthracene
1,2,5,6-dibenzanthracene: RN given refers to parent cpd		2.0410ortho-fused polycyclic arenemutagen
2-acetylaminofluorene
2-Acetylaminofluorene: A hepatic carcinogen whose mechanism of activation involves N-hydroxylation to the aryl hydroxamic acid followed by enzymatic sulfonation to sulfoxyfluorenylacetamide. It is used to study the carcinogenicity and mutagenicity of aromatic amines.		8.25602-acetamidofluorenesantimitotic;
carcinogenic agent;
epitope;
mutagen
penicillin g
Penicillin G: A penicillin derivative commonly used in the form of its sodium or potassium salts in the treatment of a variety of infections. It is effective against most gram-positive bacteria and against gram-negative cocci. It has also been used as an experimental convulsant because of its actions on GAMMA-AMINOBUTYRIC ACID mediated synaptic transmission.. benzylpenicillin : A penicillin in which the substituent at position 6 of the penam ring is a phenylacetamido group.		4.1550penicillin allergen;
penicillin		antibacterial drug;
drug allergen;
epitope
pilocarpine
Pilocarpine: A slowly hydrolyzed muscarinic agonist with no nicotinic effects. Pilocarpine is used as a miotic and in the treatment of glaucoma.. (+)-pilocarpine : The (+)-enantiomer of pilocarpine.		1.9410pilocarpineantiglaucoma drug
pentylenetetrazole
Pentylenetetrazole: A pharmaceutical agent that displays activity as a central nervous system and respiratory stimulant. It is considered a non-competitive GAMMA-AMINOBUTYRIC ACID antagonist. Pentylenetetrazole has been used experimentally to study seizure phenomenon and to identify pharmaceuticals that may control seizure susceptibility.. pentetrazol : An organic heterobicyclic compound that is 1H-tetrazole in which the hydrogens at positions 1 and 5 are replaced by a pentane-1,5-diyl group. A central and respiratory stimulant, it was formerly used for the treatment of cough and other respiratory tract disorders, cardiovascular disorders including hypotension, and pruritis.		2.3420organic heterobicyclic compound;
organonitrogen heterocyclic compound
diethylnitrosamine
Diethylnitrosamine: A nitrosamine derivative with alkylating, carcinogenic, and mutagenic properties.. N-nitrosodiethylamine : A nitrosamine that is N-ethylethanamine substituted by a nitroso group at the N-atom.		8.3870nitrosaminecarcinogenic agent;
hepatotoxic agent;
mutagen
methyldimethylaminoazobenzene
Methyldimethylaminoazobenzene: A very potent liver carcinogen.. 3-methyl-4'-dimethylaminoazobenzene : A member of the class of azobenzenes that is azobenzene in which one of the phenyl groups is substituted at position 3 by a methyl group, while the other is substituted at position 4 by a dimethylamino group. It is a potent liver carcinogen.		2.3320
isoflurophate
Isoflurophate: A di-isopropyl-fluorophosphate which is an irreversible cholinesterase inhibitor used to investigate the NERVOUS SYSTEM.		2.0110dialkyl phosphate
biguanides
Biguanides: Derivatives of biguanide (the structure formula HN(C(NH)NH2)2) that are primarily used as oral HYPOGLYCEMIC AGENTS for the treatment of DIABETES MELLITUS, TYPE 2 and PREDIABETES.. biguanides : A class of oral hypoglycemic drugs used for diabetes mellitus or prediabetes treatment. They have a structure based on the 2-carbamimidoylguanidine skeleton.		2.4110guanidines
carbon tetrachloride
Carbon Tetrachloride: A solvent for oils, fats, lacquers, varnishes, rubber waxes, and resins, and a starting material in the manufacturing of organic compounds. Poisoning by inhalation, ingestion or skin absorption is possible and may be fatal. (Merck Index, 11th ed). tetrachloromethane : A chlorocarbon that is methane in which all the hydrogens have been replaced by chloro groups.		7.85790chlorocarbon;
chloromethanes		hepatotoxic agent;
refrigerant
cantharidin
Cantharidin: A toxic compound, isolated from the Spanish fly or blistering beetle (Lytta (Cantharis) vesicatoria) and other insects. It is a potent and specific inhibitor of protein phosphatases 1 (PP1) and 2A (PP2A). This compound can produce severe skin inflammation, and is extremely toxic if ingested orally.. cantharidin : A monoterpenoid with an epoxy-bridged cyclic dicarboxylic anhydride structure secreted by many species of blister beetle, and most notably by the Spanish fly, Lytta vesicatoria. Natural toxin inhibitor of protein phosphatases 1 and 2A.		2.8640cyclic dicarboxylic anhydride;
monoterpenoid		EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
herbicide
alanine
Alanine: A non-essential amino acid that occurs in high levels in its free state in plasma. It is produced from pyruvate by transamination. It is involved in sugar and acid metabolism, increases IMMUNITY, and provides energy for muscle tissue, BRAIN, and the CENTRAL NERVOUS SYSTEM.. alanine : An alpha-amino acid that consists of propionic acid bearing an amino substituent at position 2.		3.87120alanine zwitterion;
alanine;
L-alpha-amino acid;
proteinogenic amino acid;
pyruvate family amino acid		EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor;
fundamental metabolite
serine
Serine: A non-essential amino acid occurring in natural form as the L-isomer. It is synthesized from GLYCINE or THREONINE. It is involved in the biosynthesis of PURINES; PYRIMIDINES; and other amino acids.. serine : An alpha-amino acid that is alanine substituted at position 3 by a hydroxy group.		3.0950L-alpha-amino acid;
proteinogenic amino acid;
serine family amino acid;
serine zwitterion;
serine		algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
benz(a)anthracene
benz(a)anthracene: 4 fused rings of which one is angular in contrast to the linear NAPHTHACENES. tetraphene : An angular ortho-fused polycyclic arene consisting of four fused benzene rings.		4.360ortho-fused polycyclic arene;
tetraphenes
chloramphenicol
Amphenicol: Chloramphenicol and its derivatives.		13.03340C-nitro compound;
carboxamide;
diol;
organochlorine compound		antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor
aspartic acid
Aspartic Acid: One of the non-essential amino acids commonly occurring in the L-form. It is found in animals and plants, especially in sugar cane and sugar beets. It may be a neurotransmitter.. aspartic acid : An alpha-amino acid that consists of succinic acid bearing a single alpha-amino substituent. L-aspartic acid : The L-enantiomer of aspartic acid.		2.6530aspartate family amino acid;
aspartic acid;
L-alpha-amino acid;
proteinogenic amino acid		Escherichia coli metabolite;
mouse metabolite;
neurotransmitter
glutamine
Glutamine: A non-essential amino acid present abundantly throughout the body and is involved in many metabolic processes. It is synthesized from GLUTAMIC ACID and AMMONIA. It is the principal carrier of NITROGEN in the body and is an important energy source for many cells.. L-glutamine : An optically active form of glutamine having L-configuration.. glutamine : An alpha-amino acid that consists of butyric acid bearing an amino substituent at position 2 and a carbamoyl substituent at position 4.		5.1931amino acid zwitterion;
glutamine family amino acid;
glutamine;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
Escherichia coli metabolite;
human metabolite;
metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite
lysine
Lysine: An essential amino acid. It is often added to animal feed.. lysine : A diamino acid that is caproic (hexanoic) acid bearing two amino substituents at positions 2 and 6.. L-lysine : An L-alpha-amino acid; the L-isomer of lysine.		8.2360aspartate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
lysine;
organic molecular entity;
proteinogenic amino acid		algal metabolite;
anticonvulsant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
cyanides
Cyanides: Inorganic salts of HYDROGEN CYANIDE containing the -CN radical. The concept also includes isocyanides. It is distinguished from NITRILES, which denotes organic compounds containing the -CN radical.. cyanides : Salts and C-organyl derivatives of hydrogen cyanide, HC#N.. isocyanide : The isomer HN(+)#C(-) of hydrocyanic acid, HC#N, and its hydrocarbyl derivatives RNC (RN(+)#C(-)).. cyanide : A pseudohalide anion that is the conjugate base of hydrogen cyanide.		5.5220pseudohalide anionEC 1.9.3.1 (cytochrome c oxidase) inhibitor
physostigmine
Physostigmine: A cholinesterase inhibitor that is rapidly absorbed through membranes. It can be applied topically to the conjunctiva. It also can cross the blood-brain barrier and is used when central nervous system effects are desired, as in the treatment of severe anticholinergic toxicity.		2.3720carbamate ester;
indole alkaloid		antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic
sucrose
Saccharum: A plant genus of the family POACEAE widely cultivated in the tropics for the sweet cane that is processed into sugar.		4.04150glycosyl glycosidealgal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
sweetening agent
chlordan
Chlordan: A highly poisonous organochlorine insecticide. The EPA has cancelled registrations of pesticides containing this compound with the exception of its use through subsurface ground insertion for termite control and the dipping of roots or tops of non-food plants. (From Merck Index, 11th ed)		2.4110cyclodiene organochlorine insecticideGABA-gated chloride channel antagonist;
persistent organic pollutant
tubocurarine
Tubocurarine: A neuromuscular blocker and active ingredient in CURARE; plant based alkaloid of Menispermaceae.. tubocurarine : A benzylisoquinoline alkaloid muscle relaxant which constitutes the active component of curare.. isoquinoline alkaloid : Any alkaloid that has a structure based on an isoquinoline nucleus. They are derived from the amino acids like tyrosine and phenylalanine.		6.9210bisbenzylisoquinoline alkaloiddrug allergen;
muscle relaxant;
nicotinic antagonist
9,10-dimethyl-1,2-benzanthracene
9,10-Dimethyl-1,2-benzanthracene: Polycyclic aromatic hydrocarbon found in tobacco smoke that is a potent carcinogen.. 7,12-dimethyltetraphene : A tetraphene having methyl substituents at the 7- and 12-positions. It is a potent carcinogen and is present in tobacco smoke.		8.0650ortho-fused polycyclic arene;
tetraphenes		carcinogenic agent
apomorphine
Apomorphine: A derivative of morphine that is a dopamine D2 agonist. It is a powerful emetic and has been used for that effect in acute poisoning. It has also been used in the diagnosis and treatment of parkinsonism, but its adverse effects limit its use.		1.9410aporphine alkaloidalpha-adrenergic drug;
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
emetic;
serotonergic drug
aminopyrine
Aminopyrine: A pyrazolone with analgesic, anti-inflammatory, and antipyretic properties but has risk of AGRANULOCYTOSIS. A breath test with 13C-labeled aminopyrine has been used as a non-invasive measure of CYTOCHROME P-450 metabolic activity in LIVER FUNCTION TESTS.. aminophenazone : A pyrazolone that is 1,2-dihydro-3H-pyrazol-3-one substituted by a dimethylamino group at position 4, methyl groups at positions 1 and 5 and a phenyl group at position 2. It exhibits analgesic, anti-inflammatory, and antipyretic properties.		4.360pyrazolone;
tertiary amino compound		antipyretic;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
methyltestosterone
Methyltestosterone: A synthetic hormone used for androgen replacement therapy and as an hormonal antineoplastic agent (ANTINEOPLASTIC AGENTS, HORMONAL).. methyltestosterone : A 17beta-hydroxy steroid that is testosterone bearing a methyl group at the 17alpha position.		1.941017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
enone		anabolic agent;
androgen;
antineoplastic agent
tetrabenazine
9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one : A benzoquinolizine that is 1,2,3,4,4a,9,10,10a-octahydrophenanthrene in which the carbon at position 10a is replaced by a nitrogen and which is substituted by an isobutyl group at position 2, an oxo group at position 3, and methoxy groups at positions 6 and 7.		2.2510benzoquinolizine;
cyclic ketone;
tertiary amino compound
adenosine diphosphate
Adenosine Diphosphate: Adenosine 5'-(trihydrogen diphosphate). An adenine nucleotide containing two phosphate groups esterified to the sugar moiety at the 5'-position.		210adenosine 5'-phosphate;
purine ribonucleoside 5'-diphosphate		fundamental metabolite;
human metabolite
2,3,4,6-tetrachlorophenol
2,3,4,6-tetrachlorophenol: RN given refers to parent cpd; see also record for tetrachlorophenol with locants for chloro groups not specified. 2,3,4,6-tetrachlorophenol : A tetrachlorophenol in which the chlorines are located at positions 2, 3, 4, and 6.		3.86120tetrachlorophenolxenobiotic metabolite
uridine
[no description available]		2.8840uridinesdrug metabolite;
fundamental metabolite;
human metabolite
bromodeoxyuridine
Bromodeoxyuridine: A nucleoside that substitutes for thymidine in DNA and thus acts as an antimetabolite. It causes breaks in chromosomes and has been proposed as an antiviral and antineoplastic agent. It has been given orphan drug status for use in the treatment of primary brain tumors.		2.940pyrimidine 2'-deoxyribonucleosideantimetabolite;
antineoplastic agent
galactose
galactopyranose : The pyranose form of galactose.		8.0750D-galactose;
galactopyranose		Escherichia coli metabolite;
mouse metabolite
carbostyril
Quinolones: A group of derivatives of naphthyridine carboxylic acid, quinoline carboxylic acid, or NALIDIXIC ACID.. quinolin-2(1H)-one : A quinolone that is 1,2-dihydroquinoline substituted by an oxo group at position 2.		2.9840monohydroxyquinoline;
quinolone		bacterial xenobiotic metabolite
phenylephrine
Phenylephrine: An alpha-1 adrenergic agonist used as a mydriatic, nasal decongestant, and cardiotonic agent.. phenylephrine : A member of the class of the class of phenylethanolamines that is (1R)-2-(methylamino)-1-phenylethan-1-ol carrying an additional hydroxy substituent at position 3 on the phenyl ring.		1.9410phenols;
phenylethanolamines;
secondary amino compound		alpha-adrenergic agonist;
cardiotonic drug;
mydriatic agent;
nasal decongestant;
protective agent;
sympathomimetic agent;
vasoconstrictor agent
edetic acid
Edetic Acid: A chelating agent that sequesters a variety of polyvalent cations such as CALCIUM. It is used in pharmaceutical manufacturing and as a food additive.		3.75110ethylenediamine derivative;
polyamino carboxylic acid;
tetracarboxylic acid		anticoagulant;
antidote;
chelator;
copper chelator;
geroprotector
p-aminoazobenzene
p-Aminoazobenzene: Used in the form of its salts as a dye and as an intermediate in manufacture of Acid Yellow, diazo dyes, and indulines.. 4-(phenylazo)aniline : Azobenzene substituted at one of the 4-positions by an amino group. It has a role as a dye and an allergen.		2.8440
p-dimethylaminoazobenzene
p-Dimethylaminoazobenzene: A reagent used mainly to induce experimental liver cancer. According to the Fourth Annual Report on Carcinogens (NTP 85-002, p. 89) published in 1985, this compound may reasonably be anticipated to be a carcinogen. (Merck, 11th ed)		4.01150azobenzenes
phenylethyl alcohol
Phenylethyl Alcohol: An antimicrobial, antiseptic, and disinfectant that is used also as an aromatic essence and preservative in pharmaceutics and perfumery.. 2-phenylethanol : A primary alcohol that is ethanol substituted by a phenyl group at position 2.		2.4720benzenes;
primary alcohol		Aspergillus metabolite;
fragrance;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite
tyrosine
Tyrosine: A non-essential amino acid. In animals it is synthesized from PHENYLALANINE. It is also the precursor of EPINEPHRINE; THYROID HORMONES; and melanin.. tyrosine : An alpha-amino acid that is phenylalanine bearing a hydroxy substituent at position 4 on the phenyl ring.		7.53251amino acid zwitterion;
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid;
tyrosine		EC 1.3.1.43 (arogenate dehydrogenase) inhibitor;
fundamental metabolite;
micronutrient;
nutraceutical
cysteamine
Cysteamine: A mercaptoethylamine compound that is endogenously derived from the COENZYME A degradative pathway. The fact that cysteamine is readily transported into LYSOSOMES where it reacts with CYSTINE to form cysteine-cysteamine disulfide and CYSTEINE has led to its use in CYSTINE DEPLETING AGENTS for the treatment of CYSTINOSIS.. cysteamine : An amine that consists of an ethane skeleton substituted with a thiol group at C-1 and an amino group at C-2.		2.3520amine;
thiol		geroprotector;
human metabolite;
mouse metabolite;
radiation protective agent
mepazine
mepazine: major descriptor (66-85); on-line search PHENOTHIAZINES (66-85); Index Medicus search MEPAZINE (66-85); RN given refers to parent cpd. pacatal : A phenothiazine derivative in which 10H-phenothiazine has an N-methylpiperidin-4-ylmethyl substituent at the N-10 position.		1.9310phenothiazines
adenosine monophosphate
Adenosine Monophosphate: Adenine nucleotide containing one phosphate group esterified to the sugar moiety in the 2'-, 3'-, or 5'-position.		7.7530adenosine 5'-phosphate;
purine ribonucleoside 5'-monophosphate		adenosine A1 receptor agonist;
cofactor;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
EC 3.1.3.11 (fructose-bisphosphatase) inhibitor;
fundamental metabolite;
micronutrient;
nutraceutical
niridazole
Niridazole: An antischistosomal agent that has become obsolete.		1.95101,3-thiazoles;
C-nitro compound
methylene blue
Methylene Blue: A compound consisting of dark green crystals or crystalline powder, having a bronze-like luster. Solutions in water or alcohol have a deep blue color. Methylene blue is used as a bacteriologic stain and as an indicator. It inhibits GUANYLATE CYCLASE, and has been used to treat cyanide poisoning and to lower levels of METHEMOGLOBIN.. methylene blue : An organic chloride salt having 3,7-bis(dimethylamino)phenothiazin-5-ium as the counterion. A commonly used dye that also exhibits antioxidant, antimalarial, antidepressant and cardioprotective properties.		2.3420organic chloride saltacid-base indicator;
antidepressant;
antimalarial;
antimicrobial agent;
antioxidant;
cardioprotective agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 4.6.1.2 (guanylate cyclase) inhibitor;
fluorochrome;
histological dye;
neuroprotective agent;
physical tracer
zoxazolamine
Zoxazolamine: A uricosuric and muscle relaxant. Zoxazolamine acts centrally as a muscle relaxant, but the mechanism of its action is not understood.		1.9510benzoxazole
leucine
Leucine: An essential branched-chain amino acid important for hemoglobin formation.. leucine : A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isobutyl group.		3.2260amino acid zwitterion;
L-alpha-amino acid;
leucine;
proteinogenic amino acid;
pyruvate family amino acid		algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
4-nitrobenzoic acid
4-nitrobenzoic acid: RN given refers to parent cpd. 4-nitrobenzoic acid : A nitrobenzoic acid having the nitro group at the 4-position.		2.0510nitrobenzoic acid
ethyl methanesulfonate
Ethyl Methanesulfonate: An antineoplastic agent with alkylating properties. It also acts as a mutagen by damaging DNA and is used experimentally for that effect.. ethyl methanesulfonate : A methanesulfonate ester resulting from the formal condensation of methanesulfonic acid with ethanol.		1.9610methanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
genotoxin;
mutagen;
teratogenic agent
aniline
[no description available]		6.84500anilines;
primary arylamine
dimethylnitrosamine
Dimethylnitrosamine: A nitrosamine derivative with alkylating, carcinogenic, and mutagenic properties. It causes serious liver damage and is a hepatocarcinogen in rodents.		2.6830nitrosaminegeroprotector;
mutagen
carbaryl
Carbaryl: A carbamate insecticide and parasiticide. It is a potent anticholinesterase agent belonging to the carbamate group of reversible cholinesterase inhibitors. It has a particularly low toxicity from dermal absorption and is used for control of head lice in some countries.. carbaryl : A carbamate ester obtained by the formal condensation of 1-naphthol with methylcarbamic acid.		3.0610carbamate ester;
naphthalenes		acaricide;
agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
plant growth retardant
lactose
Lactose: A disaccharide of GLUCOSE and GALACTOSE in human and cow milk. It is used in pharmacy for tablets, in medicine as a nutrient, and in industry.. lactose : A glycosylglucose disaccharide, found most notably in milk, that consists of D-galactose and D-glucose fragments bonded through a beta-1->4 glycosidic linkage. The glucose fragment can be in either the alpha- or beta-pyranose form, whereas the galactose fragment can only have the beta-pyranose form.. beta-lactose : The beta-anomer of lactose.		2.6330lactose
methionine
Methionine: A sulfur-containing essential L-amino acid that is important in many body functions.. methionine : A sulfur-containing amino acid that is butyric acid bearing an amino substituent at position 2 and a methylthio substituent at position 4.		4.13170aspartate family amino acid;
L-alpha-amino acid;
methionine zwitterion;
methionine;
proteinogenic amino acid		antidote to paracetamol poisoning;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical
1,2-dipalmitoylphosphatidylcholine
1,2-Dipalmitoylphosphatidylcholine: Synthetic phospholipid used in liposomes and lipid bilayers to study biological membranes. It is also a major constituent of PULMONARY SURFACTANTS.		2.0310
phenylalanine
Phenylalanine: An essential aromatic amino acid that is a precursor of MELANIN; DOPAMINE; noradrenalin (NOREPINEPHRINE), and THYROXINE.. L-phenylalanine : The L-enantiomer of phenylalanine.. phenylalanine : An aromatic amino acid that is alanine in which one of the methyl hydrogens is substituted by a phenyl group.		5.76280amino acid zwitterion;
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid;
phenylalanine;
proteinogenic amino acid		algal metabolite;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
Escherichia coli metabolite;
human xenobiotic metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
desoxycorticosterone
Desoxycorticosterone: A steroid metabolite that is the 11-deoxy derivative of CORTICOSTERONE and the 21-hydroxy derivative of PROGESTERONE		2.864020-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
mineralocorticoid;
primary alpha-hydroxy ketone		human metabolite;
mouse metabolite
colchicine
(S)-colchicine : A colchicine that has (S)-configuration. It is a secondary metabolite, has anti-inflammatory properties and is used to treat gout, crystal-induced joint inflammation, familial Mediterranean fever, and many other conditions.		5.1890alkaloid;
colchicine		anti-inflammatory agent;
gout suppressant;
mutagen
gallamine triethiodide
Gallamine Triethiodide: A synthetic nondepolarizing blocking drug. The actions of gallamine triethiodide are similar to those of TUBOCURARINE, but this agent blocks the cardiac vagus and may cause sinus tachycardia and, occasionally, hypertension and increased cardiac output. It should be used cautiously in patients at risk from increased heart rate but may be preferred for patients with bradycardia. (From AMA Drug Evaluations Annual, 1992, p198)		8.3170
cytidine
[no description available]		1.9410cytidinesEscherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
3,5-dimethylpyrazole
3,5-dimethylpyrazole: RN given refers to parent cpd		2.0810
barbituric acid
barbituric acid: RN given refers to parent cpd; structure from Merck Index, 9th ed, #966. barbituric acid : A barbiturate, the structure of which is that of perhydropyrimidine substituted at C-2, -4 and -6 by oxo groups. Barbituric acid is the parent compound of barbiturate drugs, although it is not itself pharmacologically active.		1.9410barbituratesallergen;
xenobiotic
chloroform
Chloroform: A commonly used laboratory solvent. It was previously used as an anesthetic, but was banned from use in the U.S. due to its suspected carcinogenicity.. chloroform : A one-carbon compound that is methane in which three of the hydrogens are replaced by chlorines.		7.851430chloromethanes;
one-carbon compound		carcinogenic agent;
central nervous system drug;
inhalation anaesthetic;
non-polar solvent;
refrigerant
fluocinolone acetonide
Fluocinolone Acetonide: A glucocorticoid derivative used topically in the treatment of various skin disorders. It is usually employed as a cream, gel, lotion, or ointment. It has also been used topically in the treatment of inflammatory eye, ear, and nose disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p732). fluocinolone acetonide : A fluorinated steroid that is flunisolide in which the hydrogen at position 9 is replaced by fluorine. A corticosteroid with glucocorticoid activity, it is used (both as the anhydrous form and as the dihydrate) in creams, gels and ointments for the treatment of various skin disorders.		2.382011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic ketal;
fluorinated steroid;
glucocorticoid;
organic heteropentacyclic compound;
primary alpha-hydroxy ketone		anti-inflammatory drug;
antipruritic drug
bromoacetate
[no description available]		2.0610carboxylic acid;
organohalogen compound
dimethylformamide
Dimethylformamide: A formamide in which the amino hydrogens are replaced by methyl groups.. N,N-dimethylformamide : A member of the class of formamides that is formamide in which the amino hydrogens are replaced by methyl groups.		5.42200formamides;
volatile organic compound		geroprotector;
hepatotoxic agent;
polar aprotic solvent
norethindrone
Norethindrone: A synthetic progestational hormone with actions similar to those of PROGESTERONE but functioning as a more potent inhibitor of ovulation. It has weak estrogenic and androgenic properties. The hormone has been used in treating amenorrhea, functional uterine bleeding, endometriosis, and for CONTRACEPTION.. norethisterone : A 17beta-hydroxy steroid that is testosterone in which the hydrogen at position 17 is replaced by an ethynyl group and in which the methyl group attached to position 10 is replaced by hydrogen.		1.941017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound;
tertiary alcohol		progestin;
synthetic oral contraceptive
cycloserine
Cycloserine: Antibiotic substance produced by Streptomyces garyphalus.. D-cycloserine : A 4-amino-1,2-oxazolidin-3-one that has R configuration. It is an antibiotic produced by Streptomyces garyphalus or S. orchidaceus and is used as part of a multi-drug regimen for the treatment of tuberculosis when resistance to, or toxicity from, primary drugs has developed. An analogue of D-alanine, it interferes with bacterial cell wall synthesis in the cytoplasm by competitive inhibition of L-alanine racemase (which forms D-alanine from L-alanine) and D-alanine--D-alanine ligase (which incorporates D-alanine into the pentapeptide required for peptidoglycan formation and bacterial cell wall synthesis).		2.13104-amino-1,2-oxazolidin-3-one;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic;
zwitterion		antiinfective agent;
antimetabolite;
antitubercular agent;
metabolite;
NMDA receptor agonist
ampicillin
Ampicillin: Semi-synthetic derivative of penicillin that functions as an orally active broad-spectrum antibiotic.. ampicillin : A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-phenylacetamido group.		2.3520beta-lactam antibiotic;
penicillin allergen;
penicillin		antibacterial drug
mannitol
[no description available]		3.3670mannitolallergen;
antiglaucoma drug;
compatible osmolytes;
Escherichia coli metabolite;
food anticaking agent;
food bulking agent;
food humectant;
food stabiliser;
food thickening agent;
hapten;
metabolite;
osmotic diuretic;
sweetening agent
cytarabine
[no description available]		440beta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside		antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent
ornithine
Ornithine: An amino acid produced in the urea cycle by the splitting off of urea from arginine.. ornithine : An alpha-amino acid that is pentanoic acid bearing two amino substituents at positions 2 and 5.		2.3520non-proteinogenic L-alpha-amino acid;
ornithine		algal metabolite;
hepatoprotective agent;
mouse metabolite
asparagine
Asparagine: A non-essential amino acid that is involved in the metabolic control of cell functions in nerve and brain tissue. It is biosynthesized from ASPARTIC ACID and AMMONIA by asparagine synthetase. (From Concise Encyclopedia Biochemistry and Molecular Biology, 3rd ed). asparagine : An alpha-amino acid in which one of the hydrogens attached to the alpha-carbon of glycine is substituted by a 2-amino-2-oxoethyl group.		1.9810amino acid zwitterion;
asparagine;
aspartate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
4-toluenesulfonamide
4-toluenesulfonamide: RN given refers to parent cpd. toluene-4-sulfonamide : A sulfonamide that is benzenesulfonamide bearing a methyl group at position 4.		2.3720sulfonamide
4-hydroxypropiophenone
[no description available]		2.0510acetophenones
histidine
Histidine: An essential amino acid that is required for the production of HISTAMINE.. L-histidine : The L-enantiomer of the amino acid histidine.. histidine : An alpha-amino acid that is propanoic acid bearing an amino substituent at position 2 and a 1H-imidazol-4-yl group at position 3.		9.26190amino acid zwitterion;
histidine;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid		algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite
n-pentanol
n-pentanol: RN given refers to parent cpd. pentan-1-ol : A short-chain primary fatty alcohol that is pentane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It has been isolated from Melicope ptelefolia.		4.94120pentanol;
short-chain primary fatty alcohol		human metabolite;
plant metabolite
1,1,1-trichloroethane
Trichloroethanes: Chlorinated ethanes which are used extensively as industrial solvents. They have been utilized in numerous home-use products including spot remover preparations and inhalant decongestant sprays. These compounds cause central nervous system and cardiovascular depression and are hepatotoxic. Include 1,1,1- and 1,1,2-isomers.. 1,1,1-trichloroethane : A member of the class of chloroethanes carrying three chloro substituents at position 1.		11.75250chloroethanespolar solvent
valine
Valine: A branched-chain essential amino acid that has stimulant activity. It promotes muscle growth and tissue repair. It is a precursor in the penicillin biosynthetic pathway.. valine : A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isopropyl group.. L-valine : The L-enantiomer of valine.		7.6730L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
pyruvate family amino acid;
valine		algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite
threonine
Threonine: An essential amino acid occurring naturally in the L-form, which is the active form. It is found in eggs, milk, gelatin, and other proteins.. threonine : An alpha-amino acid in which one of the hydrogens attached to the alpha-carbon of glycine is substituted by a 1-hydroxyethyl group.		2.0110amino acid zwitterion;
aspartate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid;
threonine		algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
alizarin
[no description available]		1.9610dihydroxyanthraquinonechromophore;
dye;
plant metabolite
dichlorodiphenyldichloroethane
Dichlorodiphenyldichloroethane: An organochlorine insecticide that is slightly irritating to the skin. (From Merck Index, 11th ed, p482)		2.3720chlorophenylethane;
monochlorobenzenes;
organochlorine insecticide		xenobiotic metabolite
methandrostenolone
Methandrostenolone: A synthetic steroid with anabolic properties that are more pronounced than its androgenic effects. It has little progestational activity. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1188)		1.9410organic molecular entity
cordycepin
[no description available]		7.05103'-deoxyribonucleoside;
adenosines		antimetabolite;
nucleoside antibiotic
tryptophan
Tryptophan: An essential amino acid that is necessary for normal growth in infants and for NITROGEN balance in adults. It is a precursor of INDOLE ALKALOIDS in plants. It is a precursor of SEROTONIN (hence its use as an antidepressant and sleep aid). It can be a precursor to NIACIN, albeit inefficiently, in mammals.. tryptophan : An alpha-amino acid that is alanine bearing an indol-3-yl substituent at position 3.		6.11240erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
tryptophan zwitterion;
tryptophan		antidepressant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
isoleucine
Isoleucine: An essential branched-chain aliphatic amino acid found in many proteins. It is an isomer of LEUCINE. It is important in hemoglobin synthesis and regulation of blood sugar and energy levels.. isoleucine : A 2-amino-3-methylpentanoic acid having either (2R,3R)- or (2S,3S)-configuration.. L-isoleucine : The L-enantiomer of isoleucine.		2.4620aspartate family amino acid;
isoleucine;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid		algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
nifenalol
nifenalol: adrenergic beta-blocker with good antiarrhythmic properties; also tends to lower blood pressure & provide protection against angina; minor descriptor (75-86); on-line & INDEX MEDICUS search ETHANOLAMINES (75-86); RN given refers to parent cpd without isomeric designation		1.9610C-nitro compound
arginine
Arginine: An essential amino acid that is physiologically active in the L-form.. arginine : An alpha-amino acid that is glycine in which the alpha-is substituted by a 3-guanidinopropyl group.		3.3570arginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical
methyl bromide
methyl bromide: used in ionization chambers, degreasing wool, extracting oils; insect fumigant; high concentrations can produce pulmonary edema,narcosis; chronic exposure can cause CNS depression,kidney injury; RN given refers to parent cpd; structure. bromomethane : A one-carbon compound in which the carbon is attached by single bonds to three hydrogen atoms and one bromine atom. It is produced naturally by marine algae.		3.0710bromohydrocarbon;
bromomethanes;
methyl halides		algal metabolite;
fumigant insecticide;
marine metabolite
ethane
Ethane: A two carbon alkane with the formula H3C-CH3.. ethane : An alkane comprising of two carbon atoms.		11.31190alkane;
gas molecular entity		plant metabolite;
refrigerant
ethylene
Plastipore: high density polyethylene sponge biocompatible material; used as posts in dental bridges		6.32280alkene;
gas molecular entity		plant hormone;
refrigerant
acetylene
[no description available]		5.97340alkyne;
gas molecular entity;
terminal acetylenic compound
methyl chloride
Methyl Chloride: A hydrocarbon used as an industrial solvent. It has been used as an aerosal propellent, as a refrigerant and as a local anesthetic. (From Martindale, The Extra Pharmacopoeia, 31st ed, p1403). chlorocarbon : Compounds consisting wholly of chlorine and carbon.. chloromethane : A one-carbon compound that is methane in which one of the hydrogens is replaced by a chloro group.		4.4370chloromethanes;
methyl halides		marine metabolite;
mutagen;
refrigerant
methylamine
methyl group : An alkyl group that is the univalent group derived from methane by removal of a hydrogen atom.		2.4420methylamines;
one-carbon compound;
primary aliphatic amine		mouse metabolite
boranes
Boranes: The collective name for the boron hydrides, which are analogous to the alkanes and silanes. Numerous boranes are known. Some have high calorific values and are used in high-energy fuels. (From Grant & Hackh's Chemical Dictionary, 5th ed). borane : The simplest borane, consisting of a single boron atom carrying three hydrogens.. boranes : The molecular hydrides of boron.		3.6490boranes;
mononuclear parent hydride
propane
Propane: A three carbon alkane with the formula H3CCH2CH3.		7.03230alkane;
gas molecular entity		food propellant
methylacetylene
methylacetylene: structure		3.5820alkyne;
gas molecular entity;
terminal acetylenic compound
ethyl chloride
Ethyl Chloride: A gas that condenses under slight pressure. Because of its low boiling point ethyl chloride sprayed on skin produces an intense cold by evaporation. Cold blocks nerve conduction. Ethyl chloride has been used in surgery but is primarily used to relieve local pain in sports medicine.. chloroethane : The simplest and least toxic member of the class of chloroethanes, that is ethane in which a single hydrogen is substituted by a chlorine. A colourless gas at room temperature and pressure (boiling point 12degreeC), it is used as a mild topical anaesthetic to numb the skin prior to ear piercing, skin biopsies, etc., and is also used in the treatment of sports injuries. It was formerly used in the production of tetraethyllead.		4.360chloroethanesantipruritic drug;
inhalation anaesthetic;
local anaesthetic
vinyl chloride
Vinyl Chloride: A gas that has been used as an aerosol propellant and is the starting material for polyvinyl resins. Toxicity studies have shown various adverse effects, particularly the occurrence of liver neoplasms.. chloroethene : A monohaloethene that is ethene in which one of the hydrogens has been replaced by a chloro group.		7.67340chloroethenes;
gas molecular entity;
monohaloethene		carcinogenic agent
ethylamine
ethylamine : A two-carbon primary aliphatic amine.		2.4220primary aliphatic aminehuman metabolite
acetonitrile
acetonitrile: RN given refers to unlabeled cpd. acetonitrile : A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a methyl group.		5.93320aliphatic nitrile;
volatile organic compound		EC 3.5.1.4 (amidase) inhibitor;
NMR chemical shift reference compound;
polar aprotic solvent
methylene chloride
Methylene Chloride: A chlorinated hydrocarbon that has been used as an inhalation anesthetic and acts as a narcotic in high concentrations. Its primary use is as a solvent in manufacturing and food technology.. dichloromethane : A member of the class of chloromethanes that is methane in which two of the hydrogens have been replaced by chlorine. A dense, non-flammible colourless liquid at room temperature (b.p. 40degreeC, d = 1.33) which is immiscible with water, it is widely used as a solvent, a paint stripper, and for the removal of caffeine from coffee and tea.		12.23330chloromethanes;
volatile organic compound		carcinogenic agent;
polar aprotic solvent;
refrigerant
methylene iodide
methylene iodide: RN given refers to parent cpd		2.4420
carbon disulfide
Carbon Disulfide: A colorless, flammable, poisonous liquid, CS2. It is used as a solvent, and is a counterirritant and has local anesthetic properties but is not used as such. It is highly toxic with pronounced CNS, hematologic, and dermatologic effects.		7.12270one-carbon compound;
organosulfur compound
cyclopropane
cyclopropane : A cycloalkane composed of three carbon atoms to form a ring.		2.6730cycloalkane;
cyclopropanes		inhalation anaesthetic
ethylene oxide
Ethylene Oxide: A colorless and flammable gas at room temperature and pressure. Ethylene oxide is a bactericidal, fungicidal, and sporicidal disinfectant. It is effective against most micro-organisms, including viruses. It is used as a fumigant for foodstuffs and textiles and as an agent for the gaseous sterilization of heat-labile pharmaceutical and surgical materials. (From Reynolds, Martindale The Extra Pharmacopoeia, 30th ed, p794). oxirane : A saturated organic heteromonocyclic parent that is a three-membered heterocycle of two carbon atoms and one oxygen atom.		12.34141gas molecular entity;
oxacycle;
saturated organic heteromonocyclic parent		allergen;
mouse metabolite;
mutagen
boron trifluoride
[no description available]		2.5420boron fluorideNMR chemical shift reference compound
bromodichloromethane
bromodichloromethane: RN given refers to parent cpd. bromodichloromethane : A halomethane that is dichloromethane in which oneof the hydrogens has been replaced by a bromine atom. It occurs as a contaminant in drinking water.		2.420halomethaneenvironmental contaminant;
reagent
1,1-dichloroethane
[no description available]		3.520organochlorine compound
vinylidene chloride
vinylidene chloride: potent hepatotoxin. 1,1-dichloroethene : A member of the class of chloroethenes that is ethene in which both of the hydrogens attached to one of the carbons are replaced by chlorines.		2.110chloroethenescarcinogenic agent;
mouse metabolite;
mutagen
phosgene
Phosgene: A highly toxic gas that has been used as a chemical warfare agent. It is an insidious poison as it is not irritating immediately, even when fatal concentrations are inhaled. (From The Merck Index, 11th ed, p7304). phosgene : An acyl chloride obtained by substitution of both hydrogens of formaldehyde by chlorine.. chloroketone : A ketone containing a chloro substituent.		2.3820acyl chloride
fluoroform
fluoroform: structure		2.0310fluoromethanesrefrigerant
nitromethane
nitromethane: structure. nitromethane : A primary nitroalkane that is methane in which one of the hydrogens is replace by a nitro group. A polar solvent (b.p. 101 degreeC), it is an important starting material in organic synthesis. It is also used as a fuel for rockets and radio-controlled models.		3.4920primary nitroalkane;
volatile organic compound		EC 4.3.1.3 (histidine ammonia-lyase) inhibitor;
explosive;
NMR chemical shift reference compound;
polar aprotic solvent
propylene oxide
propylene oxide: structure. 1,2-epoxypropane : An epoxide that is oxirane substituted by a methyl group at position 2.		1.9610epoxide
tetramethylammonium
tetramethylammonium: RN given refers to parent cpd. tetramethylammonium : The simplest quaternary ammonium cation, comprising a central nitrogen linked to four methyl groups.		7.730quaternary ammonium ion
bromotrifluoromethane
[no description available]		2.1110
tert-butyl alcohol
tert-Butyl Alcohol: An isomer of butanol that contains a tertiary butyl group that consists of three methyl groups, each separately attached to a central (tertiary) carbon.. tert-butanol : A tertiary alcohol alcohol that is isobutane substituted by a hydroxy group at position 2.		9.83100tertiary alcoholhuman xenobiotic metabolite
trichlorofluoromethane
trichlorofluoromethane: refrigerant, aerosol propellant; RN given refers to parent cpd; structure. trichlorofluoromethane : A one-carbon compound that is methane in which the hydrogens have been replaced by three chlorine and one fluorine atom.		2.0410chlorofluorocarbon;
halomethane		environmental contaminant;
NMR chemical shift reference compound;
NMR solvent;
refrigerant
methanesulfonic acid
[no description available]		1.9910alkanesulfonic acid;
one-carbon compound		Escherichia coli metabolite
tetramethylsilane
[no description available]		7.4820organosilicon compoundNMR chemical shift reference compound
tert-amyl alcohol
2-methylbutan-2-ol : A tertiary alcohol that is propan-1-ol in which both of the hydrogens at position 1 have been replaced by methyl groups.		3.7730aliphatic alcohol;
tertiary alcohol		protic solvent
1,1,1-trifluoro-2-chloroethane
1,1,1-trifluoro-2-chloroethane: volatile metabolite of halothane		2.4120organofluorine compound
trifluoroethanol
Trifluoroethanol: A non-aqueous co-solvent that serves as tool to study protein folding. It is also used in various pharmaceutical, chemical and engineering applications.		2.0410fluoroalcohol
tert-butylhydroperoxide
tert-Butylhydroperoxide: A direct-acting oxidative stress-inducing agent used to examine the effects of oxidant stress on Ca(2+)-dependent signal transduction in vascular endothelial cells. It is also used as a catalyst in polymerization reactions and to introduce peroxy groups into organic molecules.. tert-butyl hydroperoxide : An alkyl hydroperoxide in which the alkyl group is tert-butyl. It is widely used in a variety of oxidation processes.		3.0140alkyl hydroperoxideantibacterial agent;
oxidising agent
pivalic acid
pivalic acid: RN given refers to parent cpd; structure. pivalic acid : A branched, short-chain fatty acid composed of propanoic acid having two methyl substituents at the 2-position.		7.0310branched-chain saturated fatty acid;
methyl-branched fatty acid;
short-chain fatty acid
pentachloroethane
[no description available]		2.0410chloroethanesnon-polar solvent
trichloroacetic acid
Trichloroacetic Acid: A strong acid used as a protein precipitant in clinical chemistry and also as a caustic for removing warts.. trichloroacetic acid : A monocarboxylic acid that is acetic acid in which all three methyl hydrogens are substituted by chlorine.		3.66100monocarboxylic acid;
organochlorine compound		carcinogenic agent;
metabolite;
mouse metabolite
trifluoroacetic acid
Trifluoroacetic Acid: A very strong halogenated derivative of acetic acid. It is used in acid catalyzed reactions, especially those where an ester is cleaved in peptide synthesis.. trifluoroacetic acid : A monocarboxylic acid that is the trifluoro derivative of acetic acid.		8.6390fluoroalkanoic acidhuman xenobiotic metabolite;
NMR chemical shift reference compound;
reagent
hexadecafluoro-nonanoic acid
hexadecafluoro-nonanoic acid: an endocrine disruptor. hexadecafluorononanoic acid : Any derivative of nonanoic acid carrying sixteen fluoro substituents.		2.0810hexadecafluorononanoic acid
triamcinolone acetonide
Triamcinolone Acetonide: An esterified form of TRIAMCINOLONE. It is an anti-inflammatory glucocorticoid used topically in the treatment of various skin disorders. Intralesional, intramuscular, and intra-articular injections are also administered under certain conditions.. triamcinolone acetonide : A synthetic glucocorticoid that is the 16,17-acetonide of triamcinolone. Used to treat various skin infections.		2.051011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
cyclic ketal;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone		anti-allergic agent;
anti-inflammatory drug
phencyclidine
Phencyclidine: A hallucinogen formerly used as a veterinary anesthetic, and briefly as a general anesthetic for humans. Phencyclidine is similar to KETAMINE in structure and in many of its effects. Like ketamine, it can produce a dissociative state. It exerts its pharmacological action through inhibition of NMDA receptors (RECEPTORS, N-METHYL-D-ASPARTATE). As a drug of abuse, it is known as PCP and Angel Dust.. phencyclidine : A member of the class of piperidines that is piperidine in which the nitrogen is substituted with a 1-phenylcyclohexyl group. Formerly used as an anaesthetic agent, it exhibits both hallucinogenic and neurotoxic effects.		8.13321benzenes;
piperidines		anaesthetic;
neurotoxin;
NMDA receptor antagonist;
psychotropic drug
butobarbital
butobarbital: Butobarbital should be distinguished from Butabarbital (a synonym for Secbutabarbital)		2.0410barbiturates
dicyclopentadiene
[no description available]		3.5220cyclic olefin
dimethyl sulfate
dimethyl sulfate: RN given refers to unlabeled cpd; structure. dimethyl sulfate : The dimethyl ester of sulfuric acid.		1.9710alkyl sulfatealkylating agent;
immunosuppressive agent
tromethamine
Tromethamine: An organic amine proton acceptor. It is used in the synthesis of surface-active agents and pharmaceuticals; as an emulsifying agent for cosmetic creams and lotions, mineral oil and paraffin wax emulsions, as a biological buffer, and used as an alkalizer. (From Merck, 11th ed; Martindale, The Extra Pharmacopoeia, 30th ed, p1424)		1.9310primary amino compound;
triol		buffer
quinic acid
(-)-quinic acid : The (-)-enantiomer of quinic acid.		2.4520
azobis(isobutyronitrile)
azobis(isobutyronitrile): blowing agent for elastomers & plastics; initiator for free radical reactions; structure		210
linalool
linalool: RN given refers to parent cpd without isomeric designation; structure. linalool : A monoterpenoid that is octa-1,6-diene substituted by methyl groups at positions 3 and 7 and a hydroxy group at position 3. It has been isolated from plants like Ocimum canum.		7.4110monoterpenoid;
tertiary alcohol		antimicrobial agent;
fragrance;
plant metabolite;
volatile oil component
isopentane
[no description available]		3.1750alkanerefrigerant
isoprene
isoprene: used in manufacture of ''synthetic'' rubber, butyl rubber; copolymer in production of elastomers; structure. isoprene : A hemiterpene with the formula CH2=C(CH3)CH=CH2; the monomer of natural rubber and a common structure motif to the isoprenoids, a large class of other naturally occurring compounds.		8.74600alkadiene;
hemiterpene;
volatile organic compound		plant metabolite
isobutyl alcohol
isobutyl alcohol: RN given refers to parent cpd		4.790alkyl alcohol;
primary alcohol		Saccharomyces cerevisiae metabolite
propylene dichloride
propylene dichloride: Russian drug; structure. 1,2-dichloropropane : A chloroalkane that is propane in which a hydrogen from each of two adjacent carbons has been replaced by chlorines.		3.0710chloroalkane;
volatile organic compound
2-butanol
2-butanol: RN given is for parent cpd without isomeric designation. butan-2-ol : A secondary alcohol that is butane substituted by a hydroxy group at position 2.		4.0140secondary alcohol
methylethyl ketone
methylethyl ketone: solvent; colorless synthetic resins, smokeless powders; may be irritating to eyes, mucous membranes; may be toxic in high concentrations; structure. butanone : Any ketone that is butane substituted by an oxo group at unspecified position.. butan-2-one : A dialkyl ketone that is a four-carbon ketone carrying a single keto- group at position C-2.		5.69150butanone;
dialkyl ketone;
methyl ketone;
volatile organic compound		bacterial metabolite;
polar aprotic solvent
1,1,2-trichloroethane
1,1,2-trichloroethane: RN given refers to cpd with locants as specified. 1,1,2-trichloroethane : A member of the class of chloroethanes that is ethane substituted by chloro groups at positions 1, 1 and 2.		3.0710chloroethanes
trichloroethylene
Trichloroethylene: A highly volatile inhalation anesthetic used mainly in short surgical procedures where light anesthesia with good analgesia is required. It is also used as an industrial solvent. Prolonged exposure to high concentrations of the vapor can lead to cardiotoxicity and neurological impairment.. triol : A chemical compound containing three hydroxy groups.		10.081240chloroethenesinhalation anaesthetic;
mouse metabolite
propionamide
[no description available]		1.9510monocarboxylic acid amide;
primary fatty amide
acrylamide
[no description available]		8.930acrylamides;
N-acylammonia;
primary carboxamide		alkylating agent;
carcinogenic agent;
Maillard reaction product;
mutagen;
neurotoxin
acrylic acid
acrylic acid: RN given refers to parent cpd. acrylic acid : A alpha,beta-unsaturated monocarboxylic acid that is ethene substituted by a carboxy group.		5.5141alpha,beta-unsaturated monocarboxylic acidmetabolite
methyl acetate
methyl acetate : An acetate ester resulting from the formal condensation of acetic acid with methanol. A low-boiling (57 degreeC) colourless, flammable liquid, it is used as a solvent for many resins and oils.		2.4220acetate ester;
methyl ester;
volatile organic compound		EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor;
fragrance;
polar aprotic solvent
nitroethane
nitroethane : A nitroalkane that is ethane substituted by a nitro group.		210primary nitroalkane
1,1,2,2-tetrachloroethane
1,1,2,2-tetrachloroethane: see also record for tetrachloroethane. 1,1,2,2-tetrachloroethane : A member of the class of chloroethanes that is ethane substituted by chloro groups at positions 1, 1, 2 and 2.		9.1950chloroethanes
dichloroacetic acid
[no description available]		2.0210monocarboxylic acid;
organochlorine compound		astringent;
marine metabolite
pantothenic acid
Pantothenic Acid: A butyryl-beta-alanine that can also be viewed as pantoic acid complexed with BETA ALANINE. It is incorporated into COENZYME A and protects cells against peroxidative damage by increasing the level of GLUTATHIONE.. pantothenic acid : A member of the class of pantothenic acids that is an amide formed from pantoic acid and beta-alanine.. vitamin B5 : Any member of a group of vitamers that belong to the chemical structural class called pantothenic acids that exhibit biological activity against vitamin B5 deficiency. Deficiency of vitamin B5 is rare due to its widespread distribution in whole grain cereals, legumes and meat. Symptoms associated with vitamin B5 deficiency are difficult to asses since they are subtle and resemble those of other B vitamin deficiencies. The vitamers include (R)-pantothenic acid and its ionized and salt forms.. (R)-pantothenate : A pantothenate that is the conjugate base of (R)-pantothenic acid, obtained by deprotonation of the carboxy group.. (R)-pantothenic acid : A pantothenic acid having R-configuration.		2.3820pantothenic acid;
vitamin B5		antidote to curare poisoning;
geroprotector;
human blood serum metabolite
camphene
camphene : A monoterpene with a bicyclic skeleton that is bicyclo[2.2.1]heptane substituted by geminal methyl groups at position 2 and a methylidene group at position 3. It is a widespread natural product found in many essential oils.		2.0810carbobicyclic compound;
monoterpene		fragrance;
plant metabolite
tetrabromobisphenol a
tetrabromobisphenol A: a brominated flame retardant. 3,3',5,5'-tetrabromobisphenol A : A bromobisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups and the phenyl rings are substituted by bromo groups at positions 2, 2', 6 and 6'. It is a brominated flame retardant.		2.0710brominated flame retardant;
bromobisphenol
bisphenol a
4,4'-isopropylidene diphenol: stimulates proliferative responses and cytokine productions of murine spleen cells and thymus cells in vitro. bisphenol : By usage, the methylenediphenols, HOC6H4CH2C6H4OH, commonly p,p-methylenediphenol, and their substitution products (generally derived from condensation of two equivalent amounts of a phenol with an aldehyde or ketone). The term also includes analogues in the the methylene (or substituted methylene) group has been replaced by a heteroatom.. bisphenol A : A bisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups.		10.5880bisphenolendocrine disruptor;
environmental contaminant;
xenobiotic;
xenoestrogen
cumene hydroperoxide
cumene hydroperoxide: RN given refers to parent cpd. cumene hydroperoxide : A peroxol that is cumene in which the alpha-hydrogen is replaced by a hydroperoxy group.		2.3720peroxolenvironmental contaminant;
Mycoplasma genitalium metabolite;
oxidising agent
p-tert-amylphenol
p-tert-amylphenol: RN given refers to parent cpd		2.0510alkylbenzene
alpha-pinene
[no description available]		4.350pineneplant metabolite
methylmethacrylate
Methylmethacrylate: The methyl ester of methacrylic acid. It polymerizes easily to form POLYMETHYL METHACRYLATE. It is used as a bone cement.. methyl methacrylate : An enoate ester having methacrylic acid as the carboxylic acid component and methanol as the alcohol component.		2.5420enoate ester;
methyl ester		allergen;
polymerisation monomer
dehydrocholic acid
Dehydrocholic Acid: A semisynthetic bile acid made from cholic acid. It is used as a cholagogue, hydrocholeretic, diuretic, and as a diagnostic aid.. 3,7,12-trioxo-5beta-cholanic acid : An oxo-5beta-cholanic acid in which three oxo substituents are located at positions 3, 7 and 12 on the cholanic acid skeleton.		2.051012-oxo steroid;
3-oxo-5beta-steroid;
7-oxo steroid;
oxo-5beta-cholanic acid		gastrointestinal drug
rhodamine b
rhodamine B: RN & N1 from 9th CI Form Index; RN given refers to parent cpd; structure in Merck Index, 9th ed, #7973; TETRAETHYLRHODAMINE was see RHODAMINES 1975-93; use RHODAMINES to search TETRAETHYLRHODAMINE 1975-93. rhodamine B : An organic chloride salt having N-[9-(2-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]-N-ethylethanaminium as the counterion. An amphoteric dye commonly used as a fluorochrome.		10.3531organic chloride salt;
xanthene dye		fluorescent probe;
fluorochrome;
histological dye
acenaphthene
[no description available]		2.9540acenaphthenes
skatole
[no description available]		2.4520methylindolehuman metabolite;
mammalian metabolite
3-methylsalicylic acid
3-methylsalicylic acid : A monohydroxybenzoic acid consisting of salicylic acid carrying a methyl group at the 3-position.		2.0210monohydroxybenzoic acidbacterial xenobiotic metabolite
methylprednisolone
Methylprednisolone: A PREDNISOLONE derivative with similar anti-inflammatory action.. 6alpha-methylprednisolone : The 6alpha-stereoisomer of 6-methylprednisolone.		2.35206-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic
rotenone
Derris: A plant genus of the family FABACEAE. The root is a source of rotenoids (ROTENONE) and flavonoids. Some species of Pongamia have been reclassified to this genus and some to MILLETTIA. Some species of Deguelia have been reclassified to this genus.. rotenoid : Members of the class of tetrahydrochromenochromene that consists of a cis-fused tetrahydrochromeno[3,4-b]chromene skeleton and its substituted derivatives. The term was originally restricted to natural products, but is now also used to describe semi-synthetic and fully synthetic compounds.		6.9210organic heteropentacyclic compound;
rotenones		antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin
7,8-dimethyl-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione
[no description available]		2.0410flavin
dichlorodicyanobenzoquinone
dichlorodicyanobenzoquinone: request from searcher		2.8330
9,10-anthraquinone
9,10-anthraquinone : An anthraquinone that is anthracene in which positions 9 and 10 have been oxidised to carbonyls.		2.0610anthraquinone
benzo(f)quinoline
[no description available]		2.0110
phthalimide
phthalimide: RN given refers to parent cpd. phthalimide : A dicarboximide that is 2,3-dihydro-1H-isoindole substituted by oxo groups at positions 1 and 3.		2.0310phthalimides
phthalic anhydride
phthalic anhydride : The cyclic dicarboxylic anhydride that is the anhydride of phthalic acid.		1.93102-benzofurans;
cyclic dicarboxylic anhydride		allergen
n-nitrosodiphenylamine
N-nitrosodiphenylamine: RN given refers to parent cpd; structure in first source		3.3611phenylhydrazines
1-nitronaphthalene
1-nitronaphthalene: RN given refers to cpd with locant for nitro moiety in 1 position. 1-nitronaphthalene : A mononitronaphthalene substituted by a nitro group at position 1.. mononitronaphthalene : A nitronaphthalene carrying a single nitro group at unspecified position.. nitronaphthalene : A nitroarene that is naphthalene substituted by at least one nitro group.		210mononitronaphthaleneenvironmental contaminant;
mouse metabolite
fluorene
[no description available]		3.5990ortho-fused polycyclic arene;
ortho-fused tricyclic hydrocarbon
carbazole
carbazole: structure in first source		2.0510carbazole
penicillin v
Penicillin V: A broad-spectrum penicillin antibiotic used orally in the treatment of mild to moderate infections by susceptible gram-positive organisms.. phenoxymethylpenicillin : A penicillin compound having a 6beta-(phenoxyacetyl)amino side-chain.		2.3720penicillin allergen;
penicillin
1,2,3-trichlorobenzene
trichlorobenzene: commercial grade of trichlorobenzene containing 70% 1,2,4-trichlorobenzene & 30% 1,2,3-trichlorobenzene; see also record for 1,2,4-trichlorobenzene. trichlorobenzene : Any member of the class of chlorobenzenes carrying three chloro substituents at unspecified positions.. 1,2,3-trichlorobenzene : A trichlorobenzene carrying chloro substituents at positions 1, 2 and 3.		4.4370trichlorobenzene
2,6-xylidine
2,6-xylidine: RN given refers to parent cpd. 2,6-dimethylaniline : A primary arylamine that is aniline in which the hydrogens at the 2- and 6-positions are replaced by methyl groups. It is used in the production of some anasthetics and other chemicals. It is a drug metabolite of lidocaine (local anasthetic).		2.0610dimethylaniline;
primary arylamine		carcinogenic agent;
drug metabolite
2,6-dichlorophenol
2,6-dichlorophenol: RN given refers to unlabeled cpd. 2,6-dichlorophenol : A dichlorophenol with the chloro substituents at positions 2 and 6.		2.3920dichlorophenol
hexachlorobutadiene
hexachlorobutadiene: a potent nephrotoxicant in rats; structure		2.0210organochlorine compound
hexabromobenzene
[no description available]		2.4620
hexamethylbenzene
hexamethylbenzene : A methylbenzene that is benzene in which all six hydrogens have been replaced by methyl groups.		2.9740methylbenzene
xylitol
xylooligosaccharide: structure in first source. pentitol : An alditol obtained by reduction of any pentose.. xylooligosaccharide : An oligosaccharide comprised of xylose residues.		1.9510
n-vinyl-2-pyrrolidinone
N-vinyl-2-pyrrolidinone: monomer of POVIDONE; structure given in first source		5.5651pyrrolidin-2-ones
2-furoic acid
2-furoic acid: RN given refers to parent cpd. furoic acid : A monocarboxylic acid that consists of a furan ring having a single carboxylic acid group on any ring position and derivatives thereof.. 2-furoic acid : A furoic acid having the carboxylic acid group located at position 2.		2.1310furoic acidbacterial xenobiotic metabolite;
human xenobiotic metabolite;
inhibitor;
plant metabolite;
Saccharomyces cerevisiae metabolite
2-tert-butylphenol
[no description available]		2.0210alkylbenzene
2-isopropylphenol
2-isopropylphenol: structure given in first source. 2-isopropylphenol : A member of the class of phenols carrying an isopropyl group at position 2.		2.0210phenols
2-nitrotoluene
nitrotoluene : Any member of the class of toluenes bearing one or more nitro substituents on the benzene ring.		3.0710mononitrotoluenecarcinogenic agent;
environmental contaminant
2-nitroaniline
[no description available]		2.0210
2-nitrophenol
nitrophenol : Any member of the class of phenols or substituted phenols carrying at least 1 nitro group.		2.02102-nitrophenols
picryl chloride
Picryl Chloride: A hapten that generates suppressor cells capable of down-regulating the efferent phase of trinitrophenol-specific contact hypersensitivity. (Arthritis Rheum 1991 Feb;34(2):180).. 1-chloro-2,4,6-trinitrobenzene : The C-nitro compound that is chlorobenzene with three nitro substituents in the 2-, 4- and 6-positions.		2.0510C-nitro compound;
monochlorobenzenes		allergen;
epitope;
explosive;
hapten
picric acid
picric acid: used as antiseptic, astringent & stimulant for epitheliazation; structure. picric acid : A C-nitro compound comprising phenol having three nitro substtituents at the 2-, 4- and 6-positions.		7.4720C-nitro compoundantiseptic drug;
explosive;
fixative
thymol
Thymol: A phenol obtained from thyme oil or other volatile oils used as a stabilizer in pharmaceutical preparations, and as an antiseptic (antibacterial or antifungal) agent.. thymol : A phenol that is a natural monoterpene derivative of cymene.		4.1650monoterpenoid;
phenols		volatile oil component
salicylaldehyde
o-hydroxybenzaldehyde: structure in first source		2.4820hydroxybenzaldehydenematicide;
plant metabolite
2-anisidine
2-anisidine: RN given refers to parent cpd; structure. o-anisidine : A substituted aniline that is aniline in which the hydrogen ortho to the amino group has been replaced by a methoxy group. It is used as a chemical intermediate in the synthesis of azo pigments and dyes.		2.8220monomethoxybenzene;
primary amino compound;
substituted aniline		genotoxin;
reagent
1-methylnaphthalene
1-methylnaphthalene : A methylnaphthalene carrying a methyl substituent at position 1.		2.4620methylnaphthalenecarcinogenic agent;
plant metabolite
1-chloronaphthalene
1-chloronaphthalene: word preservative; in xylamon the active ingredient is 60% 1-chloronaphthalene; structure in Merck Index, 9th ed, #2126		2.0410
1-naphthol
1-naphthol: RN given refers to parent cpd. 1-naphthol : A naphthol carrying a hydroxy group at position 1.. hydroxynaphthalene : Any member of the class of naphthalenes that is naphthalene carrying one or more hydroxy groups.		3.1150naphtholgenotoxin;
human xenobiotic metabolite
2-phenylbutyric acid
2-phenylbutyric acid : A monocarboxylic acid that is butyric acid substituted by a phenyl group at position 2.		7.0610benzenes;
monocarboxylic acid		human xenobiotic metabolite
1-naphthylphenylamine
N-phenyl-1-naphthylamine: RN given refers to 1-naphthylamine cpd; structure		3.0610naphthalenes
2-phenylphenol
2-phenylphenol: RN given refers to parent cpd; structure. biphenyl-2-ol : A member of the class of hydroxybiphenyls that is biphenyl substituted by a hydroxy group at position 2. It is generally used as a post-harvest fungicide for citrus fruits.		3.0810hydroxybiphenylsantifungal agrochemical;
environmental food contaminant
anthrone
anthrone: used in colorimetric determination of sugar & animal starch in body fluids; structure. anthrone : A member of the class of anthracenes that is 9,10-dihydroanthracene carrying an oxo group at C-9.		1.9410anthracenoneradical scavenger
diethylpropion
Diethylpropion: A appetite depressant considered to produce less central nervous system disturbance than most drugs in this therapeutic category. It is also considered to be among the safest for patients with hypertension. (From AMA Drug Evaluations Annual, 1994, p2290). diethylpropion : An aromatic ketone that is propiophenone in which one of the hydrogens alpha- to the carbonyl is substituted by a diethylamino group. A central stimulant and indirect-acting sympathomimetic, it is an appetite depressant and is used as the hydrochloride as an anoretic in the short term management of obesity.		1.9410aromatic ketone;
tertiary amine		appetite depressant
veratrole
veratrole: structure. dimethoxybenzene : Any methoxybenzene that consists of a benzene skeleton substituted with two methoxy groups and its derivatives.. veratrole : A dimethoxybenzene with the methoxy groups at ortho-positions.		1.9410dimethoxybenzeneplant metabolite
quinoxalines
quinoxaline : A naphthyridine in which the nitrogens are at positions 1 and 4.		5.1670mancude organic heterobicyclic parent;
naphthyridine;
ortho-fused heteroarene
1,2,3,4-tetrahydroisoquinoline
1,2,3,4-tetrahydroisoquinoline: RN given refers to cpd with locants as specified		3.2510isoquinolines
quinoline
[no description available]		9.6280azaarene;
mancude organic heterobicyclic parent;
ortho-fused heteroarene;
quinolines
2-methylnaphthalene
2-methylnaphthalene: RN given refers to parent cpd. 2-methylnaphthalene : A methylnaphthalene carrying a methyl substituent at position 2.		2.4620methylnaphthalene
2-chloronaphthalene
2-chloronaphthalene: structure in first source		2.0410
2-naphthylamine
2-Naphthylamine: A naphthalene derivative with carcinogenic action.. 2-naphthylamine : A naphthylamine carrying the amino group at position 2.		4.4220naphthylaminecarcinogenic agent
3,3'-diaminobenzidine
3,3'-Diaminobenzidine: A chemically and thermodynamically stable derivative of BENZIDINE.. 3,3'-diaminobenzidine : A member of the class of biphenyls that is benzidine in which one of the hydrogens ortho to each of the amino groups has been replaced by an amino group.		2.0610biphenyls;
substituted aniline		histological dye
naphthacene
tetracene : An acene that consists of four ortho-fused benzene rings in a rectilinear arrangement.		2.4620acene;
tetracenes
diphenyl
diphenyl: RN given refers to unlabeled cpd; structure		5.82170aromatic fungicide;
benzenes;
biphenyls		antifungal agrochemical;
antimicrobial food preservative
4-biphenylamine
4-biphenylamine: used in detection of sulfates, & as a carcinogen in cancer research; RN given refers to parent cpd; structure. biphenyl-4-amine : An aminobiphenyl that is biphenyl substituted by an amino group at position 4.		3.3720aminobiphenylcarcinogenic agent
2,5-diphenyloxazole
[no description available]		1.9710
xanthenes
Xanthenes: Compounds with three aromatic rings in linear arrangement with an OXYGEN in the center ring.		2.4420xanthene
phenothiazine
10H-phenothiazine : The 10H-tautomer of phenothiazine.		2.3720phenothiazineferroptosis inhibitor;
plant metabolite;
radical scavenger
thianthrene
thianthrene: in its electron deficient state, effects formation of high-energy phosphate bonds in process of oxidative phosphorylation; structure. thianthrene : The organosulfur heterocyclic compound that is the parent compound of the thianthrenes, a tricyclic structure comprising two benzene rings fused to the b and e sides of 1,4-dithin.		2.0510mancude organic heterotricyclic parent;
organosulfur heterocyclic compound;
thianthrenes
benzidine
benzidine: RN given refers to parent cpd. benzidine : A member of the class of biphenyls that is 1,1'-biphenyl in which the hydrogen at the para-position of each phenyl group has been replaced by an amino group.		8.4780biphenyls;
substituted aniline		carcinogenic agent
veratryl alcohol
(3,4-dimethoxyphenyl)methanol : A member of the class of benzyl alcohols that is benzyl alcohol in which the hydrogens at positions 3 and 4 of the phenyl group are substituted by methoxy groups.		2.0210benzyl alcohols;
dimethoxybenzene;
primary alcohol		fungal metabolite
2-naphthoic acid
2-naphthoic acid: RN given refers to parent cpd. 2-naphthoic acid : A naphthoic acid that is naphthalene carrying a carboxy group at position 2.		2.3920naphthoic acidmouse metabolite;
xenobiotic metabolite
1-phenylpropanol
1-phenylpropanol: structure in first source		2.5220organic molecular entity
styrene glycol
styrene glycol: RN given refers to cpd without isomeric designation		1.9910benzenes
methyl benzoate
methyl benzoate : A benzoate ester obtained by condensation of benzoic acid and methanol.		2.9340benzoate ester;
methyl ester		insect attractant;
metabolite
ethyl benzoate
ethyl benzoate : A benzoate ester obtained by condensation of benzoic acid and ethanol. It is a volatile oil component found in ripe kiwifruit, cranberry juice, and palm kernel oil.		2.0510benzoate ester;
ethyl ester		flavouring agent;
fragrance;
volatile oil component
benzoylacetone
[no description available]		2.0310
benzoic anhydride
[no description available]		1.9910acyclic carboxylic anhydride
butylparaben
[no description available]		2.0510organic molecular entity
benzoyl peroxide
Benzoyl Peroxide: A peroxide derivative that has been used topically for BURNS and as a dermatologic agent in the treatment of ACNE and POISON IVY DERMATITIS. It is used also as a bleach in the food industry.		2.8940carbonyl compound
2-methyl-4-chlorophenoxyacetic acid
2-Methyl-4-chlorophenoxyacetic Acid: A powerful herbicide used as a selective weed killer.. (4-chloro-2-methylphenoxy)acetic acid : A chlorophenoxyacetic acid that is (4-chlorophenoxy)acetic acid substituted by a methyl group at position 2.		1.9610chlorophenoxyacetic acid;
monochlorobenzenes		environmental contaminant;
phenoxy herbicide;
synthetic auxin
indene
indene: structure in first source. 1H-indene : An ortho-fused bicyclic arene comprising of benzene and cyclopentene rings.		8.2460indene;
ortho-fused bicyclic arene
benzothiophene
[no description available]		2.44201-benzothiophenes;
benzothiophene
benzothiazole
benzothiazole: structure. benzothiazole : An organic heterobicyclic compound that is a fusion product between benzene and thiazole. The parent of the class of benzothiazoles.		2.7430benzothiazolesenvironmental contaminant;
plant metabolite;
xenobiotic
2-xylene
2-xylene: RN given refers to parent cpd. o-xylene : A xylene substituted by methyl groups at positions 1 and 2.		7.5620xylene
2-chlorotoluene
2-chlorotoluene: RN given refers to parent cpd		2.4720
2-dichlorobenzene
2-dichlorobenzene: structure. 1,2-dichlorobenzene : A dichlorobenzene carrying chloro substituents at positions 1 and 2.		4.83100dichlorobenzenehepatotoxic agent;
metabolite
2-toluidine
2-toluidine: RN given refers to parent cpd. o-toluidine : An aminotoluene in which the amino substituent is ortho to the methyl group.		4.0850aminotoluenecarcinogenic agent
1,2-diaminobenzene
1,2-diaminobenzene: RN given refers to parent cpd. 1,2-phenylenediamine : A phenylenediamine in which the two amino groups are ortho to each other.		2.3720phenylenediaminehydrogen donor
2-bromophenol
bromophenol : A halophenol that is any phenol containing one or more covalently bonded bromine atoms.		2.0210bromophenolmarine metabolite
2-chlorophenol
chlorophenol : A halophenol that is any phenol containing one or more covalently bonded chlorine atoms.		7.43202-halophenol;
monochlorophenol
pseudocumene
1,2,4-trimethylbenzene : A trimethylbenzene carrying methyl groups at positions 1, 2 and 4.		2.7130trimethylbenzeneneurotoxin
3,4-dimethylphenol
3,4-dimethylphenol: RN given refers to parent cpd. 3,4-xylenol : A member of the class of phenols that is phenol substituted by methyl groups at positions 3 and 4.		2.0210phenols
2,4-xylidine
2,4-xylidine: RN given refers to parent cpd; structure. 2,4-dimethylaniline : A primary arylamine that is aniline in which the hydrogens at the 2- and 4-positions are replaced by methyl groups. A clear to yellow liquid, it is used in production of certain dyes, pesticides and other chemicals.		1.9610dimethylaniline;
primary arylamine
2-methyl-1,4-hydroquinone
2-methyl-1,4-hydroquinone: structure given in first source. toluquinol : A member of the class of hydroquinones that is hydroquinone in which one of the benzene hydrogens has been replaced by a methyl group.		2.4110hydroquinonesangiogenesis inhibitor;
anti-inflammatory agent;
Penicillium metabolite
2,5-xylenol
2,5-xylenol : A member of the class of phenols that phenol substituted by methyl groups at positions 2 and 5.		2.0210phenolsanimal metabolite;
volatile oil component
durene
durene: structure. durene : A tetramethylbenzene carrying methyl groups at positions 1, 2, 4 and 5.		2.7530tetramethylbenzene
1,2,4,5-tetrachlorobenzene
1,2,4,5-tetrachlorobenzene : A tetrachlorobenzene carrying chloro groups at positions 1, 2, 4 and 5.		3.520tetrachlorobenzene
styrene oxide
styrene oxide: structure. styrene oxide : An epoxide that is oxirane in which one of the hydrogens has been replaced by a phenyl group.		2.7130epoxidehuman xenobiotic metabolite
1,2-dibromo-3-chloropropane
1,2-dibromo-3-chloropropane: RN given refers to cpd with specified locants for bromine & chlorine moieties		4.2830organochlorine compound
3-methylpentane
3-methylpentane : An alkane that is pentane which is substituted by a methyl group at position 3. It is used as a solvent in organic synthesis, as a lubricant and as a raw material for producing carbon black.		2.730alkane;
volatile organic compound		allelochemical;
human metabolite;
non-polar solvent
diethyl ketone
diethyl ketone: RN given refers to unlabeled parent cpd. pentan-3-one : A pentanone that is pentane carrying an oxo group at position 3. It has been isolated from Triatoma brasiliensis and Triatoma infestans.		3.0710pentanoneanimal metabolite
methyl acrylate
[no description available]		2.3720enoate ester
methylcyclopentane
methylcyclopentane: toxic; RN 96-37-7. methylcyclopentane : A cycloalkane that is cyclopentane substituted by a single methyl group.		2.4120cycloalkane;
volatile organic compound		human metabolite;
plant metabolite
cyclopentanol
[no description available]		3.520cyclopentanols
4-butyrolactone
4-Butyrolactone: One of the FURANS with a carbonyl thereby forming a cyclic lactone. It is an endogenous compound made from gamma-aminobutyrate and is the precursor of gamma-hydroxybutyrate. It is also used as a pharmacological agent and solvent.. tetrahydrofuranone : Any oxolane having an oxo- substituent at any position on the tetrahydrofuran ring.. gamma-butyrolactone : A butan-4-olide that is tetrahydrofuran substituted by an oxo group at position 2.		2.0310butan-4-olidemetabolite;
neurotoxin
n-methylpyrrole
[no description available]		1.9910pyrroles
o-aminoazotoluene
o-Aminoazotoluene: An azo dye with carcinogenic properties.		1.9910
ethyl 2-methylpropanoate
ethyl isobutyrate : A fatty acid ethyl ester obtained by the formal condensation of isobutyric acid with ethanol.		3.0710fatty acid ethyl esterplant metabolite
butyl methacrylate
[no description available]		2.4420enoate ester
furaldehyde
Furaldehyde: A heterocyclic compound consisting of a furan where the hydrogen at position 2 is substituted by a formyl group.. furfural : An aldehyde that is furan with the hydrogen at position 2 substituted by a formyl group.		2.9840aldehyde;
furans		Maillard reaction product;
metabolite
tert-butylbenzene
[no description available]		2.6530
benzotrichloride
benzotrichloride: structure. (trichloromethyl)benzene : An organochlorine compound that is toluene in which all three hydrogens of the methyl group have been replaced by chlorines. It is used as an intermediate in organic synthesis and dye chemistry.		1.9410benzenes;
organochlorine compound;
volatile organic compound		carcinogenic agent
benzotrifluoride
alpha,alpha,alpha-trifluorotoluene: structure in first source. (trifluoromethyl)benzene : A fluorohydrocarbon that is fluoroform in which the hydrogen is substituted by a phenyl group.		210(trifluoromethyl)benzenes;
fluorohydrocarbon		environmental contaminant;
NMR chemical shift reference compound;
solvent
benzenesulfonyl chloride
benzenesulfonyl chloride: structure		6.9310
benzenesulfonamide
[no description available]		1.9510sulfonamide
benzenesulfonic acid
benzenesulfonic acid: RN given refers to parent cpd. benzenesulfonic acid : The simplest member of the class of a benzenesulfonic acids that consists of a benzene carrying a single sulfo group.		7.8640benzenesulfonic acids
3-trifluoromethylphenol
3-trifluoromethylphenol: structure in first source		1.9510(trifluoromethyl)benzenes
butylphen
butylphen: irritant; structure. 4-tert-butylphenol : A member of the class of phenols that is phenol substituted with a tert-butyl group at position 4.		4.0240phenolsallergen
4-chloro-alpha,alpha,alpha-trifluorotoluene
4-chloro-alpha,alpha,alpha-trifluorotoluene: RN given refers to cpd with specified locants for chloride & trifluoromethyl moieties; structure given in first source		2.0410
4-tert-butylbenzoic acid
4-tert-butylbenzoic acid: RN given refers to parent cpd		1.9510alkylbenzene
pyrrolidonecarboxylic acid
Pyrrolidonecarboxylic Acid: A cyclized derivative of L-GLUTAMIC ACID. Elevated blood levels may be associated with problems of GLUTAMINE or GLUTATHIONE metabolism.. 5-oxo-L-proline : An optically active form of 5-oxoproline having L-configuration.		1.97105-oxoproline;
L-proline derivative;
non-proteinogenic L-alpha-amino acid		algal metabolite
cumene
cumene : An alkylbenzene that is benzene carrying an isopropyl group.		3.9130alkylbenzene
alpha-methylstyrol
[no description available]		1.9310olefinic compound
methylphenyl carbinol
1-phenylethanol : An aromatic alcohol that is ethanol substituted by a phenyl group at position 1.. methylbenzyl alcohol : Members of the class of benzyl alcohols substituted by at least one methyl group.		1.9310aromatic alcoholmouse metabolite
acetophenone
acetophenone : A methyl ketone that is acetone in which one of the methyl groups has been replaced by a phenyl group.		4.3560acetophenonesanimal metabolite;
photosensitizing agent;
xenobiotic
benzal chloride
dichloromethylbenzene: structure given in first source		1.9410benzenes
nitrobenzene
nitrobenzene : A nitroarene consisting of benzene carrying a single nitro substituent. An industrial chemical used widely in the production of aniline.		5.91330nitroarene;
nitrobenzenes
3-toluic acid
3-toluic acid: RN given refers to parent cpd; structure		1.9510methylbenzoic acidhuman xenobiotic metabolite
3-nitroaniline
3-nitroaniline: used as a sole source of nitrogen , carbon and energy		7.4620
3,5-dinitrobenzoyl chloride
[no description available]		1.9910
sym-trinitrobenzene
Trinitrobenzenes: Benzene derivatives which are substituted with three nitro groups in any position.. 1,3,5-trinitrobenzene : A trinitrobenzene in which each of the nitro groups is meta- to the other two.		2.0510trinitrobenzeneexplosive
carvone
carvone: an oxidized derivative of limonene; RN given refers to cpd without isomeric designation; L-carvone has spearmint flavor, D-carvone has dill/caraway flavor. carvone : A p-menthane monoterpenoid that consists of cyclohex-2-enone having methyl and isopropenyl substituents at positions 2 and 5, respectively.		2.4120botanical anti-fungal agent;
carvones		allergen
3-dinitrobenzene
dinitrobenzene : Any member of the class of nitrobenzenes that consists of a benzene ring substituted by two nitro groups. A closed class.. 1,3-dinitrobenzene : A dinitrobenzene that is benzene disubstituted at positions 1 and 3 with nitro groups.		1.9310dinitrobenzeneneurotoxin
4-cymene
4-cymene: structure. p-cymene : A monoterpene that is toluene substituted by an isopropyl group at position 4.		2.7630monoterpene;
toluenes		human urinary metabolite;
plant metabolite;
volatile oil component
4-isopropylphenol
[no description available]		2.0510phenolsflavouring agent
4-hydroxyacetophenone
4-hydroxyacetophenone: promotes secretion of bile & bile salts, which promotes griseofulvin absorption in the duodenum. 4'-hydroxyacetophenone : A monohydroxyacetophenone carrying a hydroxy substituent at position 4'.		2.4720monohydroxyacetophenonefungal metabolite;
mouse metabolite;
plant metabolite
4-toluic acid
4-toluic acid: RN given refers to parent cpd; structure. p-toluic acid : A methylbenzoic acid in which the methyl substituent is located at position 4.		1.9510methylbenzoic acid
4-chloronitrobenzene
[no description available]		2.0510C-nitro compound
4-nitroaniline
[no description available]		2.7530nitroanilinebacterial xenobiotic metabolite
4-anisic acid
4-methoxybenzoic acid: structure in first source. 4-methoxybenzoic acid : A methoxybenzoic acid substituted with a methoxy group at position C-4.		2.0210methoxybenzoic acidplant metabolite
terephthalic acid
terephthalic acid: RN given refers to 1,4-benzenedicarboxylic acid. terephthalic acid : A benzenedicarboxylic acid carrying carboxy groups at positions 1 and 4. One of three possible isomers of benzenedicarboxylic acid, the others being phthalic and isophthalic acids.		2.4620benzenedicarboxylic acid
ethylbenzene
[no description available]		14.95342alkylbenzene
styrene
Styrene: A colorless, toxic liquid with a strong aromatic odor. It is used to make rubbers, polymers and copolymers, and polystyrene plastics.. styrene : A vinylarene that is benzene carrying a vinyl group. It has been isolated from the benzoin resin produced by Styrax species.		8.79780styrenes;
vinylarene;
volatile organic compound		mouse metabolite;
mutagen;
plant metabolite
4-vinylpyridine
4-vinylpyridine: reagent for blocking cysteine function in proteins; RN given refers to parent cpd		7.4820
benzyl chloride
benzyl chloride: RN given refers to unlabeled cpd. chlorophenylmethane : A chlorohydrocarbon that is phenylmethane substituted by a chloro group at unspecified position.. benzyl chloride : A member of the class of benzyl chlorides that is toluene substituted on the alpha-carbon with chlorine.		2.6730benzyl chlorides
benzylamine
aminotoluene : Any member of the class of toluenes carrying one or more amino groups.		2.3820aralkylamine;
primary amine		allergen;
EC 3.5.5.1 (nitrilase) inhibitor;
plant metabolite
benzonitrile
benzonitrile : A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a phenyl group.		8.6290benzenes;
nitrile
methylaniline
methylaniline: RN given refers to parent cpd. methylaniline : A substituted aniline carrying one or more methyl groups at unspecified positions.		3.0850methylaniline;
phenylalkylamine;
secondary amine
phenylhydrazine
[no description available]		8.7630phenylhydrazinesxenobiotic
cyclohexanone oxime
[no description available]		2.0810
anisole
anisole : A monomethoxybenzene that is benzene substituted by a methoxy group.		4.4870monomethoxybenzeneplant metabolite
methylphenylsulfide
thioanisole : An aryl sulfide that is thiophenol in which the hydrogen of the thiol group has been replaced by a methyl group.		2.4420aryl sulfide;
benzenes
cyclamic acid
Cyclamates: Salts and esters of cyclamic acid.. cyclohexylsulfamic acid : A member of the class of sulfamic acids that is sulfamic acid carrying an N-cyclohexyl substituent.		3.4520sulfamic acidsenvironmental contaminant;
human xenobiotic metabolite
4-aminodiphenylamine
4-aminodiphenylamine: RN given refers to parent cpd. p-aminodiphenylamine : An aromatic amine that is the 4-amino derivative of diphenylamine.		2.4110aromatic amine;
secondary amino compound		allergen
diphenylmethane
diphenylmethane : A diarylmethane that is methane substituted by two phenyl groups.		2.2110diarylmethane
phenyl ether
diphenyl ether : An aromatic ether in which the oxygen is attached to two phenyl substituents. It has been found in muscat grapes and vanilla.		2.4720aromatic etherplant metabolite
tripropylamine
tripropylammonium: RN given refers to parent cpd. tripropylamine : A tertiary amine that is ammonia in which each hydrogen atom is substituted by a propyl group.		2.0510tertiary amine
1,2-dihydrostilbene
1,2-dihydrostilbene: intermdiate in biosynthesis of dihydrophenanthrenes from phenylalanine. 1,2-dihydrostilbene : A diphenylethane that is the 1,2-dihydro derivative of stilbene.		2.0410diphenylethane
n-propylbenzene
n-propylbenzene: RN given refers to parent cpd. propylbenzene : An alkylbenzene that is benzene having one of its aromatic hydrogens substituted by a propyl group.		4.79100alkylbenzene
phenetole
phenetole : An aromatic ether in which the ether oxygen is bonded to an ethyl and a phenyl group.		7.6430aromatic ether
n-benzyl-n,n-dimethylamine
[no description available]		1.9510
n-butylbenzene
butylbenzene : An alkylbenzene that is benzene substituted by a butyl group at position 1.		2.4420alkylbenzene
ethyl propionate
ethyl propionate: cholesterol gallstone solvent. ethyl propionate : A propanoate ester of ethanol.		3.0710propanoate estermetabolite
ethyl butyrate
ethyl butyrate : A butyrate ester resulting from the formal condensation of the hydroxy group of ethanol with the carboxy group of butyric acid.		3.0710butyrate esterplant metabolite
caprolactam
Caprolactam: Cyclic amide of caproic acid used in manufacture of synthetic fibers of the polyamide type. Can cause local irritation.. epsilon-caprolactam : A member of the class of caprolactams that is azepane substituted by an oxo group at position 2.		2.6730caprolactamshuman blood serum metabolite
2,4-dimethylphenol
2,4-dimethylphenol: RN given refers to parent cpd. 2,4-xylenol : A member of the class of phenols that phenol substituted by methyl groups at positions 2 and 4.		3.520aromatic fungicide;
phenols		disinfectant;
volatile oil component
1,4-dibromobenzene
[no description available]		2.4520dibromobenzene
4-bromophenol
4-bromophenol : A bromophenol containing only hydroxy and bromo substituents that are para to one another.		2.6830bromophenolhuman urinary metabolite;
human xenobiotic metabolite;
marine metabolite;
mouse metabolite;
persistent organic pollutant;
rat metabolite
4-xylene
p-xylene : A xylene with methyl groups at positions 1 and 4.		6.94660xylene
4-chlorotoluene
4-chlorotoluene: RN given refers to unlabeled cpd		2.0410monochlorobenzenes
4-chloroaniline
4-chloroaniline: RN given refers to parent cpd; structure. 4-chloroaniline : A chloroaniline in which the chloro atom is para to the aniline amino group.		2.9540chloroaniline;
monochlorobenzenes
4-toluidine
4-toluidine: RN given refers to parent cpd. p-toluidine : An aminotoluene in which the amino substituent is para to the methyl group.		2.0210aminotoluene
epichlorohydrin
Epichlorohydrin: A chlorinated epoxy compound used as an industrial solvent. It is a strong skin irritant and carcinogen.. epichlorohydrin : An epoxide that is 1,2-epoxypropene in which one of the methyl hydrogens is substituted by chlorine.		4.1650epoxide;
organochlorine compound
glycidyl methacrylate
glycidyl methacrylate: RN given refers to monomer. glycidyl methacrylate : An enoate ester obtained by formal condensation of the carboxy group of methacrylic acid with the hydroxy group of glycidol.		7.4420enoate ester;
epoxide
ethylene dibromide
Ethylene Dibromide: An effective soil fumigant, insecticide, and nematocide. In humans, it causes severe burning of skin and irritation of the eyes and respiratory tract. Prolonged inhalation may cause liver necrosis. It is also used in gasoline. Members of this group have caused liver and lung cancers in rodents. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), 1,2-dibromoethane may reasonably be anticipated to be a carcinogen.. 1,2-dibromoethane : A bromoalkane that is ethane carrying bromo substituents at positions 1 and 2. It is produced by marine algae.		4.4770bromoalkane;
bromohydrocarbon		algal metabolite;
carcinogenic agent;
fumigant;
marine metabolite;
mouse metabolite;
mutagen
butane
butane : A straight chain alkane composed of 4 carbon atoms.		4.6961alkane;
gas molecular entity		food propellant;
refrigerant
1-butene
but-1-ene : A butene with unsaturation at position 1.		2.4220butene
1,3-butadiene
buta-1,3-diene : A butadiene with unsaturation at positions 1 and 3.		9.76641butadienecarcinogenic agent;
mutagen
acrolein
[no description available]		8.86184enalherbicide;
human xenobiotic metabolite;
toxin
propylamine
propylamine : A member of the class of alkylamines that is propane substituted by an amino group at C-1.		2.0210alkylamines
propionitrile
propionitrile: structure. propionitrile : A nitrile that is acrylonitrile in which the carbon-carbon double bond has been reduced to a single bond.		2.6830aliphatic nitrile;
volatile organic compound		polar aprotic solvent
acrylonitrile
[no description available]		8.06161aliphatic nitrile;
volatile organic compound		antifungal agent;
carcinogenic agent;
fungal metabolite;
mutagen;
polar aprotic solvent
propargyl alcohol
propargyl alcohol: irreversibly inactivates alcohol oxidase; RN given refers to parent cpd. prop-2-yn-1-ol : A terminal acetylenic compound that is prop-2-yne substituted by a hydroxy group at position 1.		2.4620propynol;
terminal acetylenic compound;
volatile organic compound		antifungal agent;
Saccharomyces cerevisiae metabolite
ethylmercuric chloride
Ethylmercuric Chloride: A highly toxic compound used as a fungicide for treating seeds.. ethylmercuric chloride : A highly toxic organomercury compound which is used as a fungicide for treating seeds.		1.9510chlorine molecular entity;
organomercury compound		fungicide
methyl formate
methyl formate: RN given refers to parent cpd. methyl formate : A formate ester resulting from the formal condensation of formic acid with methanol. A low-boiling (31.5 degreeC) colourless, flammable liquid, it has been used as a fumigant and larvicide for tobacco and food crops.		3.0710formate ester;
methyl ester;
volatile organic compound		fumigant;
insecticide;
polar aprotic solvent;
refrigerant
2-methylpentane
Hexanes: Six-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives. Various polyneuropathies are caused by hexane poisoning.		9.8591alkane
2-pentanone
pentanone : Any ketone that is pentane substituted by an oxo group at unspecified position.		3.8130methyl ketone;
pentanone		plant metabolite
propylene glycol methyl ether
propylene glycol methyl ether: RN given refers to unspecified methoxypropanol; structure		3.1410
1-nitropropane
1-nitropropane : A nitroalkane that is propane substituted at C-1 by a nitro group.		2.4420primary nitroalkane
methyl isobutyl ketone
[no description available]		3.4820ketone
isobutylmethylcarbinol
isobutylmethylcarbinol: RN given refers to cpd without isomeric designation		2.0510
diisopropyl ether
[no description available]		2.420
maleic anhydride
Maleic Anhydrides: Used in copolymerization reactions, in the Diels-Alder(diene)synthesis, in the preparation of resins, pharmaceuticals and agricultural chemicals. It is a powerful irritant and causes burns.. maleic anhydride : A cyclic dicarboxylic anhydride that is the cyclic anhydride of maleic acid.		2.3920cyclic dicarboxylic anhydride;
furans		allergen
3-xylene
m-xylene : A xylene carrying methyl groups at positions 1 and 3.		6.19420xylene
3-chloroaniline
3-chloroaniline: RN given refers to parent cpd		2.0210
3-chlorophenol
3-chlorophenol : A monochlorophenol carrying the chloro substituent at position 3.		2.9140monochlorophenol
mesitylene
mesitylene: structure. 1,3,5-trimethylbenzene : A trimethylbenzene carrying methyl substituents at positions 1, 3 and 5.		3.4270trimethylbenzene
3,5-xylenol
3,5-xylenol: RN given refers to 3,5-isomer. 3,5-xylenol : A member of the class of phenols that phenol substituted by methyl groups at positions 3 and 5.		2.0210phenolsxenobiotic metabolite
1,3,5-trichlorobenzene
1,3,5-trichlorobenzene: structure in first source. 1,3,5-trichlorobenzene : A trichlorobenzene carrying chloro substituents at positions 1, 3 and 5.		3.520trichlorobenzene
melamine
melamine: RN given refers to parent cpd; structure. melamine : A trimer of cyanamide, with a 1,3,5-triazine skeleton.		2.2110triamino-1,3,5-triazinexenobiotic metabolite
bromobenzene
[no description available]		5.31180bromoarene;
bromobenzenes;
volatile organic compound		hepatotoxic agent;
mouse metabolite;
non-polar solvent
chlorobenzene
[no description available]		7.48530monochlorobenzenessolvent
cyclohexanol
Cyclohexanols: Monohydroxy derivatives of cyclohexanes that contain the general formula R-C6H11O. They have a camphorlike odor and are used in making soaps, insecticides, germicides, dry cleaning, and plasticizers.. cyclohexanols : An alcohol in which one or more hydroxy groups are attached to a cyclohexane skeleton.		4.89110cyclohexanols;
secondary alcohol		solvent
cyclohexanone
[no description available]		5.9171cyclohexanoneshuman xenobiotic metabolite
thiophenol
thiophenol : A thiol in which the sulfanyl group is attached to a phenyl group.		2.3520aryl thiol
triethylene glycol dimethacrylate
[no description available]		2.0610
n-pentanoic acid
n-pentanoic acid: RN given refers to unlabeled parent cpd. valeric acid : A straight-chain saturated fatty acid containing five carbon atoms.		1.9510short-chain fatty acid;
straight-chain saturated fatty acid		plant metabolite
propyl acetate
propyl acetate: affects aggression without affecting motor activity; RN given refers to parent cpd. propyl acetate : An acetate ester obtained by the formal condensation of acetic acid with propanol.		3.520acetate esterfragrance;
plant metabolite
boron trifluoride etherate
[no description available]		2.0810
pentane
Pentanes: Five-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives.. pentane : A straight chain alkane consisting of 5 carbon atoms.		8.89391alkane;
volatile organic compound		non-polar solvent;
refrigerant
1-pentene
1-pentene: structure in first source		3.520
butyl chloride
butyl chloride: structure		3.7730
n-butylamine
n-butylamine: RN given refers to parent cpd. butan-1-amine : A primary aliphatic amine that is butane substituted by an amino group at position 1.		2.0210primary aliphatic amine
dicyanmethane
malononitrile : A dinitrile that is methane substituted by two cyano groups.		2.4620aliphatic nitrile;
dinitrile
methyl cellosolve
methyl cellosolve: widely used industrial solvent for resins, lacquers, dyes & inks; may cause anemia macrocytosis, appearance of young granulocytes in blood; RN given refers to parent cpd		2.0510glycol etherprotic solvent;
solvent
dimethoxymethane
dimethoxymethane : An acetal that is the dimethyl acetal derivative of formaldehyde.		210acetal;
diether
diethylamine
[no description available]		2.0510secondary aliphatic amine
ethyl formate
ethyl formate : A formate ester resulting from the formal condensation of formic acid with ethanol.. ethoxycarbonyl group : An organyl group of formula -COOEt.		3.0710ethyl ester;
formate ester		fumigant;
plant metabolite
pyrroles
1H-pyrrole : A tautomer of pyrrole that has the double bonds at positions 2 and 4.. pyrrole : A five-membered monocyclic heteroarene comprising one NH and four CH units which forms the parent compound of the pyrrole group of compounds. Its five-membered ring structure has three tautomers. A 'closed class'.. azole : Any monocyclic heteroarene consisting of a five-membered ring containing nitrogen. Azoles can also contain one or more other non-carbon atoms, such as nitrogen, sulfur or oxygen.		4.49230pyrrole;
secondary amine
tetrahydrofuran
oxolane : A cyclic ether that is butane in which one hydrogen from each methyl group is substituted by an oxygen.		5.14140cyclic ether;
oxolanes;
saturated organic heteromonocyclic parent;
volatile organic compound		polar aprotic solvent
furan
furan : A monocyclic heteroarene with a structure consisting of a 5-membered ring containing four carbons and one oxygen, with formula C4H4O. It is a toxic, flammable, low-boiling (31degreeC) colourless liquid.		3.79110furans;
mancude organic heteromonocyclic parent;
monocyclic heteroarene		carcinogenic agent;
hepatotoxic agent;
Maillard reaction product
thiophenes
Thiophenes: A monocyclic heteroarene furan in which the oxygen atom is replaced by a sulfur.. thiophenes : Compounds containing at least one thiophene ring.		7.16380mancude organic heteromonocyclic parent;
monocyclic heteroarene;
thiophenes;
volatile organic compound		non-polar solvent
di-tert-butyl peroxide
tert-butyl peroxide: structure in first source		210
n,n,n',n'-tetramethylethylenediamine
N,N,N',N'-tetramethylethylenediamine: RN given refers to parent cpd; structure. N,N,N',N'-tetramethylethylenediamine : An ethylenediamine derivative in which each nitrogen carries two methyl substituents. It is widely employed both as a ligand for metal ions and as a catalyst in organic polymerisation.		2.0410ethylenediamine derivativecatalyst;
chelator
isobutyl acetate
isobutyl acetate : The acetate ester of isobutanol.		3.0710acetate esterSaccharomyces cerevisiae metabolite
n-hexane
hexane : An unbranched alkane containing six carbon atoms.		6.03360alkane;
volatile organic compound		neurotoxin;
non-polar solvent
1,4-butanediol
butane-1,4-diol : A butanediol that is butane in which one hydrogen of each of the methyl groups is substituted by a hydroxy group. A colourless, water-miscible, viscous liquid at room temperature (m.p. 16degreeC) with a high boiling point (230degreeC), it is mainly used for the production of other organic chemicals, particularly the solvent oxolane (also known as tetrahydrofuran or THF).		2.3820butanediol;
glycol		neurotoxin;
prodrug;
protic solvent
cyclohexane
Cyclohexane: C6H12. cyclohexane : An alicyclic hydrocarbon comprising a ring of six carbon atoms; the cyclic form of hexane, used as a raw material in the manufacture of nylon.		5.1440cycloalkane;
volatile organic compound		non-polar solvent
cyclohexene
cyclohexene : A cycloalkene that is cylohexane with a single double bond.		3.75100cycloalkene
morpholine
[no description available]		210morpholines;
saturated organic heteromonocyclic parent		NMR chemical shift reference compound
2-octanone
2-octanone : A methyl ketone that is octane substituted by an oxo group at position 2.		3.0710methyl ketonemetabolite
1-hexanol
1-hexanol: RN given refers to parent cpd. hexanol : A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of six carbon atoms.. hexan-1-ol : A primary alcohol that is hexane substituted by a hydroxy group at position 1.		4.1950hexanol;
primary alcohol		alarm pheromone;
antibacterial agent;
fragrance;
plant metabolite
1,5-pentanediol
[no description available]		2.3820primary alcohol
1-octene
1-octene: RN given refers to parent cpd. 1-octene : An octene with an unsaturation C-1.		4.3730octene
heptanol
Heptanol: A colorless liquid with a fragrant odor. It is used as an intermediate, solvent and in cosmetics.. heptanol : A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of seven carbon atoms.. heptan-1-ol : A primary alcohol that is heptane substituted by a hydroxy group at position 1. It has been isolated from Capillipedium parviflorum.		4.2150heptanol;
primary alcohol		flavouring agent;
fragrance;
gap junctional intercellular communication inhibitor;
plant metabolite
nonane
iotrochotin: toxin from the Caribbean sponge Iotrochota birotulata, which selectively permeabilizes synaptosomes. nonane : A straight chain alkane composed of 9 carbon atoms.		2.4620alkaneplant metabolite;
volatile oil component
n,n-dimethyl-1-dodecanamine
N,N-dimethyl-1-dodecanamine: increases body weight & feed efficiency in animals; RN given refers to parent cpd		2.0510
n-dodecane
dodecane : A straight-chain alkane with 12 carbon atoms. It has been isolated from the essential oils of various plants including Zingiber officinale (ginger).		2.4320alkaneplant metabolite
dodecanol
Dodecanol: A saturated 12-carbon fatty alcohol obtained from coconut oil fatty acids. It has a floral odor and is used in detergents, lubricating oils, and pharmaceuticals. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed). dodecanol : A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of twelve carbon atoms.. dodecan-1-ol : A primary alcohol that is dodecane in which a hydrogen from one of the methyl groups is replaced by a hydroxy group. It is registered for use in apple and pear orchards as a Lepidopteran pheromone/sex attractant, used to disrupt the mating behaviour of certain moths whose larvae destroy crops.		2.0510dodecanol;
primary alcohol		bacterial metabolite;
cosmetic;
insect attractant;
insecticide;
pheromone;
plant metabolite
ergotamine
Ergotamine: A vasoconstrictor found in ergot of Central Europe. It is a serotonin agonist that has been used as an oxytocic agent and in the treatment of MIGRAINE DISORDERS.. ergotamine : A peptide ergot alkaloid that is dihydroergotamine in which a double bond replaces the single bond between positions 9 and 10.		1.9410peptide ergot alkaloidalpha-adrenergic agonist;
mycotoxin;
non-narcotic analgesic;
oxytocic;
serotonergic agonist;
vasoconstrictor agent
propylene
propylene: structure		8.4470alkene;
gas molecular entity		refrigerant;
xenobiotic
isobutylene
2-methylprop-1-ene : An alkene that is prop-1-ene substituted by a methyl group at position 2.		1.9410alkene;
gas molecular entity
2,2,2-trichloroethanol
[no description available]		2.0410chloroethanolmouse metabolite
mephobarbital
Mephobarbital: A barbiturate that is metabolized to PHENOBARBITAL. It has been used for similar purposes, especially in EPILEPSY, but there is no evidence mephobarbital offers any advantage over PHENOBARBITAL.. mephobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at N-1 by a methyl group and at C-5 by ethyl and phenyl groups.		2.0510barbituratesanticonvulsant
bromphenol blue
Bromphenol Blue: A dye that has been used as an industrial dye, a laboratory indicator, and a biological stain.. bromophenol blue : 3H-2,1-Benzoxathiole 1,1-dioxide in which both of the hydrogens at position 3 have been substituted by 3,5-dibromo-4-hydroxyphenyl groups. It is used as a laboratory indicator, changing from yellow below pH 3 to purple at pH 4.6, and as a size marker for monitoring the progress of agarose gel and polyacrylamide gel electrophoresis. It has also been used as an industrial dye.		2.03102,1-benzoxathiole;
arenesulfonate ester;
organobromine compound;
phenols;
sultone		acid-base indicator;
dye;
two-colour indicator
pentaerythritol
pentaerythritol: RN given refers to parent cpd; structure in Merck Index, 9th ed, #6904. pentaerythritol : A tetrol that is neopentane in which one of the methyl hydrogens of all four methyl groups are replaced by hydroxy groups. It is a chemical intermediate used in the production of explosives, plastics, paints, appliances, and cosmetics.		2.110primary alcohol;
tetrol		flame retardant;
laxative
triphenyl phosphate
triphenyl phosphate: structure. triphenyl phosphate : An aryl phosphate resulting from the formal condensation of phosphoric acid with 3 mol eq. of phenol.		1.9610aryl phosphateflame retardant;
plasticiser
diethylhexyl phthalate
Diethylhexyl Phthalate: An ester of phthalic acid. It appears as a light-colored, odorless liquid and is used as a plasticizer for many resins and elastomers.. bis(2-ethylhexyl) phthalate : A phthalate ester that is the bis(2-ethylhexyl) ester of benzene-1,2-dicarboxylic acid.		5.2590diester;
phthalate ester		androstane receptor agonist;
apoptosis inhibitor;
plasticiser
hexachlorobenzene
Hexachlorobenzene: An agricultural fungicide and seed treatment agent.. hexachlorobenzene : A member of the class of chlorobenzenes that is benzene in which all of the hydrogens are replaced by chlorines. An agricultural fungicide introduced in the mid-1940s and formerly used as a seed treatment, its use has been banned since 1984 under the Stockholm Convention on Persistent Organic Pollutants.		3.6190aromatic fungicide;
chlorobenzenes		antifungal agrochemical;
carcinogenic agent;
persistent organic pollutant
2-chlorobenzoic acid
2-chlorobenzoic acid: RN given refers to parent cpd. chlorobenzoic acid : Any member of the class of benzoic acids in which the benzene ring is substituted by at least one chloro group.. 2-chlorobenzoic acid : A monochlorobenzoic acid having the chloro group at the 2-position.		2.03102-halobenzoic acid;
monochlorobenzoic acid		plant hormone;
plant metabolite
trinitrotoluene
Trinitrotoluene: A 2,4,6-trinitrotoluene, which is an explosive chemical that can cause skin irritation and other toxic consequences.. 2,4,6-trinitrotoluene : A trinitrotoluene having the nitro groups at positions 2, 4 and 6.		9.1650trinitrotolueneexplosive
framycetin
Framycetin: A component of NEOMYCIN that is produced by Streptomyces fradiae. On hydrolysis it yields neamine and neobiosamine B. (From Merck Index, 11th ed). framycetin : A tetracyclic antibacterial agent derived from neomycin, being a glycoside ester of neamine and neobiosamine B.		5.1221aminoglycosideallergen;
antibacterial drug;
Escherichia coli metabolite
benzoin
[no description available]		2.9240benzoins;
secondary alpha-hydroxy ketone		EC 3.1.1.1 (carboxylesterase) inhibitor
tetralin
tetralin: structure given in first source. tetralin : An ortho-fused bicyclic hydrocarbon that is 1,2,3,4-tetrahydro derivative of naphthalene.		2.3420ortho-fused bicyclic hydrocarbon;
tetralins
isoquinoline
[no description available]		4.2450azaarene;
isoquinolines;
mancude organic heterobicyclic parent;
ortho-fused heteroarene
anthracene
acene : A polycyclic aromatic hydrocarbon consisting of fused benzene rings in a rectilinear arrangement.. acenes : Polycyclic aromatic hydrocarbons consisting of fused benzene rings in a rectilinear arrangement and their substitution derivatives.		4.48220acene;
anthracenes;
ortho-fused tricyclic hydrocarbon
ethyl-p-hydroxybenzoate
ethyl-p-hydroxybenzoate: structure		2.4220ethyl ester;
paraben		antifungal agent;
antimicrobial food preservative;
phytoestrogen;
plant metabolite
dimethyl 4-phthalate
dimethyl 4-phthalate: solvent; structure. dimethyl terephthalate : A diester resulting from the formal condensation of the carboxy groups of terephthalic acid with methanol. It is a primary ingredient widely used in the manufacture of polyesters and industrial plastics.		210diester;
methyl ester;
phthalate ester
sulfoxide
sulfoxide: synergistic insecticide for use with pyrethrum, allethrin, rotenone, ryania, etc.; RN given refers to parent cpd; structure. sulfoxide : An organosulfur compound having the structure R2S=O or R2C=S=O (R =/= H).		2.4720benzodioxoles
cresidine
cresidine: structure		2.4120methoxybenzenes
cyclopentanone
[no description available]		3.0710cyclopentanonesMaillard reaction product
vanillic acid
Vanillic Acid: A flavoring agent. It is the intermediate product in the two-step bioconversion of ferulic acid to vanillin. (J Biotechnol 1996;50(2-3):107-13).. vanillic acid : A monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted by a methoxy group at position 3.		1.9810methoxybenzoic acid;
monohydroxybenzoic acid		plant metabolite
triethylamine
[no description available]		1.9910tertiary amine
3-nitrobenzoic acid
3-nitrobenzoic acid: RN given refers to parent cpd		2.4220
1,4-naphthoquinone
naphthoquinone : A polycyclic aromatic ketone metabolite of naphthalene.. 1,4-naphthoquinone : The parent structure of the family of 1,4-naphthoquinones, in which the oxo groups of the quinone moiety are at positions 1 and 4 of the naphthalene ring. Derivatives have pharmacological properties.		2.06101,4-naphthoquinones
2,6-diaminoanthraquinone
2,6-diaminoanthraquinone: structure in first source		2.0410
iodohippuric acid
Iodohippuric Acid: An iodine-containing compound used in pyelography as a radiopaque medium. If labeled with radioiodine, it can be used for studies of renal function.. 2-iodohippuric acid : A member of the class of benzamides resulting from the formal condensation of the carboxy group of 2-iodobenzoic acid with the amino group of glycine.		1.9410benzamides;
N-acylglycine;
organoiodine compound
1-naphthylamine
1-Naphthylamine: A suspected industrial carcinogen (and listed as such by OSHA). Its N-hydroxy metabolite is strongly carcinogenic and mutagenic.. naphthylamine : A primary arylamine that is naphthalene substituted by an amino group at unspecified position.. 1-naphthylamine : A naphthylamine that is naphthalene substituted by an amino group at position 1.		3.0610naphthylaminehuman xenobiotic metabolite
benzil
benzil: structure. benzil : An alpha-diketone that is ethane-1,2-dione substituted by phenyl groups at positions 1 and 2 respectively.		1.9310alpha-diketone;
aromatic ketone
2-naphthol
2-naphthol: RN given refers to parent cpd. 2-naphthol : A naphthol carrying a hydroxy group at position 2.. naphthols : Any hydroxynaphthalene derivative that has a single hydroxy substituent.		4.99120naphtholantinematodal drug;
genotoxin;
human urinary metabolite;
human xenobiotic metabolite;
mouse metabolite;
radical scavenger
sec-butylbenzene
sec-butylbenzene : An alkylbenzene that is benzene substituted by a butan-2-yl group.		1.9610alkylbenzene
1,3-diphenyl-1-triazene
1,3-diphenyl-1-triazene: structure in first source		2.0110
2-methylbutanol
2-methylbutanol: fragrance; structure in first source. 2-methylbutan-1-ol : A primary alcohol that is isopentane substituted by a hydroxy group at position 1.		2.0510alkyl alcohol;
primary alcohol		Saccharomyces cerevisiae metabolite
shikimic acid
Shikimic Acid: A tri-hydroxy cyclohexene carboxylic acid important in biosynthesis of so many compounds that the shikimate pathway is named after it.. shikimic acid : A cyclohexenecarboxylic acid that is cyclohex-1-ene-1-carboxylic acid substituted by hydroxy groups at positions 3, 4 and 5 (the 3R,4S,5R stereoisomer). It is an intermediate metabolite in plants and microorganisms.		2.0310alpha,beta-unsaturated monocarboxylic acid;
cyclohexenecarboxylic acid;
hydroxy monocarboxylic acid		Escherichia coli metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
nitrilotriacetic acid
Nitrilotriacetic Acid: A derivative of acetic acid, N(CH2COOH)3. It is a complexing (sequestering) agent that forms stable complexes with Zn2+. (From Miall's Dictionary of Chemistry, 5th ed.)		1.9810NTA;
tricarboxylic acid		carcinogenic agent;
nephrotoxic agent
dodecyl sulfate
dodecyl sulfate: RN given refers to parent cpd; see also SODIUM DODECYL SULFATE		6.9310alkyl sulfate
benzyl acetate
benzyl acetate : The acetate ester of benzyl alcohol.		2.1510acetate ester;
benzyl ester		metabolite
benzyl cyanide
benzyl cyanide: reversible monoamine oxidase inhibitor		2.5120benzenes;
nitrile		animal metabolite;
pheromone
p-cresyl acetate
[no description available]		2.0510benzoate ester;
phenols
estragole
estragole : A phenylpropanoid that is chavicol in which the hydroxy group is replaced by a methoxy group.		8.0810alkenylbenzene;
monomethoxybenzene;
phenylpropanoid		carcinogenic agent;
flavouring agent;
genotoxin;
insect attractant;
plant metabolite
ethyl acetate
ethyl acetate : The acetate ester formed between acetic acid and ethanol.		5.46200acetate ester;
ethyl ester;
volatile organic compound		EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor;
metabolite;
polar aprotic solvent;
Saccharomyces cerevisiae metabolite
hexanoic acid
hexanoic acid : A C6, straight-chain saturated fatty acid.		2.3820medium-chain fatty acid;
straight-chain saturated fatty acid		human metabolite;
plant metabolite
n-heptane
Heptanes: Seven-carbon alkanes with the formula C7H16.. heptane : A straight-chain alkane with seven carbon atoms. It has been found in Jeffrey pine (Pinus jeffreyi).		3.97130alkane;
volatile organic compound		non-polar solvent;
plant metabolite
lauryl methacrylate
dodecyl methacrylate: monomer unit of various acrylate polymers used to form gels,plastics and some biocompatible materials; structure in first source		2.0310
dibutyl ether
[no description available]		3.0710
pregnenolone
[no description available]		2.874020-oxo steroid;
3beta-hydroxy-Delta(5)-steroid;
C21-steroid		human metabolite;
mouse metabolite
ditiocarb
Ditiocarb: A chelating agent that has been used to mobilize toxic metals from the tissues of humans and experimental animals. It is the main metabolite of DISULFIRAM.. diethyldithiocarbamic acid : A member of the class of dithiocarbamic acids that is diethylcarbamic acid in which both of the oxygens are replaced by sulfur.		3.0950dithiocarbamic acidschelator;
copper chelator
3-hydroxyanisole
3-hydroxyanisole: structure in first source. 3-methoxyphenol : A member of the class of phenols that is phenol having a methoxy-substituent at the 3-position.		2.6830monomethoxybenzene;
phenols
mequinol
mequinol: depigmenting agent; RN given refers to parent cpd		2.6830methoxybenzenes;
phenols		metabolite
aziridine
[no description available]		1.9710azacycloalkane;
aziridines;
saturated organic heteromonocyclic parent		alkylating agent
catechin
Catechin: An antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms.. catechin : Members of the class of hydroxyflavan that have a flavan-3-ol skeleton and its substituted derivatives.. rac-catechin : A racemate comprising equimolar amounts of (+)- and (-)-catechin. (+)-catechin : The (+)-enantiomer of catechin and a polyphenolic antioxidant plant metabolite.		3.4311catechinantioxidant;
plant metabolite
coronene
coronene: structure. coronene : A ortho- and peri-fused polycyclic arene that consists of six peri-fused benzene rings.		7.9940ortho- and peri-fused polycyclic arene
1,12-benzoperylene
1,12-benzoperylene: structure; see also record for benzoperylene		2.0410ortho- and peri-fused polycyclic arene
anthanthrene
[no description available]		2.0710ortho- and peri-fused polycyclic arene
benzo(e)pyrene
benzo(e)pyrene: RN given refers to parent cpd. benzo[e]pyrene : An ortho- and peri-fused polycyclic arene consisting of five fused benzene rings. It is listed as a Group 3 carcinogen by the IARC.		2.0410ortho- and peri-fused polycyclic arenecarcinogenic agent;
mutagen
perylene
Perylene: A 20-carbon dibenz(de,kl)anthracene that can be viewed as a naphthalene fused to a phenalene or as dinaphthalene. It is used as fluorescent lipid probe in the cytochemistry of membranes and is a polycyclic hydrocarbon pollutant in soil and water. Derivatives may be carcinogenic.. perylene : An ortho- and peri-fused polycyclic arene comprising of five benzene rings that is anthracene in which the d,e and k,l sides are fused to benzene rings.		8.2960ortho- and peri-fused polycyclic arene;
perylenes
benzo(j)fluoranthene
benzo(j)fluoranthene: dihydrodiol metabolites identified as mutagens; structure given in first source		2.0410naphthalenes
benzo(b)fluoranthene
benzo[b]fluoranthene : An ortho- and peri-fused polycyclic arene that consists of a benzene ring fused with a acephenanthrylene ring.		2.0410ortho- and peri-fused polycyclic arenemutagen
fluoranthene
fluoranthene: structure. fluoranthene : An ortho- and peri-fused polycyclic arene consisting of a naphthalene and benzene unit connected by a five-membered ring.		2.9840ortho- and peri-fused polycyclic arene
benzo(k)fluoranthene
[no description available]		2.0410naphthalenes
dibenzo(a,c)phenazine
dibenzo(a,c)phenazine: structure in first source		2.0310
triphenylene
triphenylene: structure. triphenylene : An ortho-fused polycyclic arene consisting of four fused benzene rings.		2.4720ortho-fused polycyclic arene
chrysene
chrysene: structure in Merck Index, 9th ed, #2252. chrysene : An ortho-fused polycyclic arene found commonly in the coal tar.		2.9740ortho-fused polycyclic areneplant metabolite
dibenzo(aj)anthracene
dibenzo(aj)anthracene: structure in first source		2.0410phenanthrenes
phenanthridine
phenanthridine : An azaarene that is the 9-aza derivative of phenanthrene. The parent of the class of phenanthridines.		2.0510azaarene;
mancude organic heterotricyclic parent;
phenanthridines;
polycyclic heteroarene
benzo(a)fluorene
benzo(a)fluorene: structure in first source		2.0410carbotetracyclic compound
benzo(b)fluorene
benzo(b)fluorene: structure in first source		2.0410carbotetracyclic compound
cinnoline
cinnoline: structure in first source. cinnoline : An azaarene that is the 1,2-diaza analogue of naphthalene. The parent of the class of cinnolines.		2.0610azaarene;
cinnolines;
mancude organic heterobicyclic parent;
ortho-fused heteroarene
quinazolines
Quinazolines: A group of aromatic heterocyclic compounds that contain a bicyclic structure with two fused six-membered aromatic rings, a benzene ring and a pyrimidine ring.. quinazoline : A mancude organic heterobicyclic parent that is naphthalene in which the carbon atoms at positions 1 and 3 have been replaced by nitrogen atoms.. quinazolines : Any organic heterobicyclic compound based on a quinazoline skeleton and its substituted derivatives.		2.940azaarene;
mancude organic heterobicyclic parent;
ortho-fused heteroarene;
quinazolines
acridines
Acridines: Compounds that include the structure of acridine.. acridine : A polycyclic heteroarene that is anthracene in which one of the central CH groups is replaced by a nitrogen atom.		4.55260acridines;
mancude organic heterotricyclic parent;
polycyclic heteroarene		genotoxin
dibenzo(1,4)dioxin
dibenzo(1,4)dioxin: structure		3.1550dibenzodioxine;
heteranthrene;
mancude organic heterotricyclic parent;
oxacycle;
polycyclic heteroarene
indazoles
Indazoles: A group of heterocyclic aromatic organic compounds consisting of the fusion of BENZENE and PYRAZOLES.		6.0541indazole
benzofuran
benzofuran: RN & structure given in first source. 1-benzofuran : A benzofuran consisting of fused benzene and furan rings. It is the parent compound of the class of 1-benzofurans.		2.02101-benzofurans;
benzofuran
benzoxazoles
1,3-benzoxazole : A benzoxazole in which the benzene ring is fused to a 1,3-oxazole ring across positions 4 and 5.. benzoxazole : Compounds based on a fused 1,2- or 1,3-oxazole and benzene bicyclic ring skeleton.		4.09401,3-benzoxazoles;
mancude organic heterobicyclic parent
indolizine
[no description available]		2.0210indolizines;
mancude organic heterobicyclic parent
azulene
[no description available]		2.3820azulenes;
mancude carbobicyclic parent;
ortho-fused bicyclic arene		plant metabolite;
volatile oil component
bicyclo(2.2.2)octane
bicyclo(2.2.2)octane: structure in first source		3.2510
adamantane
Adamantane: A tricyclo bridged hydrocarbon.		8.1350adamantanes;
polycyclic alkane
cyclohexene oxide
cyclohexene oxide: inhibitor of epoxide hydrase; structure		1.9810
cyclopentane
Cyclopentanes: A group of alicyclic hydrocarbons with the general formula R-C5H9.. cyclopentanes : Cyclopentane and its derivatives formed by substitution.		5.35180cycloalkane;
cyclopentanes;
volatile organic compound		non-polar solvent
isoxazoles
Isoxazoles: Azoles with an OXYGEN and a NITROGEN next to each other at the 1,2 positions, in contrast to OXAZOLES that have nitrogens at the 1,3 positions.. isoxazole : A monocyclic heteroarene with a structure consisting of a 5-membered ring containing three carbon atoms and an oxygen and nitrogen atom adjacent to each other. It is the parent of the class of isoxazoles.. isoxazoles : Oxazoles in which the N and O atoms are adjacent.		2.7630isoxazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene
oxazoles
Oxazoles: Five-membered heterocyclic ring structures containing an oxygen in the 1-position and a nitrogen in the 3-position, in distinction from ISOXAZOLES where they are at the 1,2 positions.. 1,3-oxazole : A five-membered monocyclic heteroarene that is an analogue of cyclopentadiene with O in place of CH2 at position 1 and N in place of CH at position 3.. oxazole : An azole based on a five-membered heterocyclic aromatic skeleton containing one N and one O atom.		3.851201,3-oxazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene
thiazoles
[no description available]		6.861211,3-thiazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene
1,2,4-triazole
1,2,4-triazole: RN given refers to 1H-1,2,4-triazole		7.9201,2,4-triazole
pyridazine
pyridazine: structure given in first source		3.5620diazine;
pyridazines
pyrimidine
pyrimidine : The parent compound of the pyrimidines; a diazine having the two nitrogens at the 1- and 3-positions.		4.5470diazine;
pyrimidines		Daphnia magna metabolite
pyrazines
Pyrazines: A heterocyclic aromatic organic compound with the chemical formula C4H4N2.. pyrazine : A diazine that is benzene in which the carbon atoms at positions 1 and 4 have been replaced by nitrogen atoms.		6.18170diazine;
pyrazines		Daphnia magna metabolite
cyclooctane
[no description available]		3.5820
di-2-(ethylhexyl)phosphoric acid
di-2-(ethylhexyl)phosphoric acid: RN given refers to parent cpd		210
nitroblue tetrazolium
Nitroblue Tetrazolium: Colorless to yellow dye that is reducible to blue or black formazan crystals by certain cells; formerly used to distinguish between nonbacterial and bacterial diseases, the latter causing neutrophils to reduce the dye; used to confirm diagnosis of chronic granulomatous disease.		2.6530organic cation
triphenyltetrazolium
triphenyltetrazolium: RN given refers to parent cpd. 2,3,5-triphenyltetrazolium : An organic cation that is tetrazole carrying three phenyl substituents at positions 2, 3 and 5.		1.9310organic cation
ephedrine
Ephedrine: A phenethylamine found in EPHEDRA SINICA. PSEUDOEPHEDRINE is an isomer. It is an alpha- and beta-adrenergic agonist that may also enhance release of norepinephrine. It has been used for asthma, heart failure, rhinitis, and urinary incontinence, and for its central nervous system stimulatory effects in the treatment of narcolepsy and depression. It has become less extensively used with the advent of more selective agonists.. (-)-ephedrine : A phenethylamine alkaloid that is 2-phenylethanamine substituted by a methyl group at the amino nitrogen and a methyl and a hydroxy group at position 2 and 1 respectively.		3.3570phenethylamine alkaloid;
phenylethanolamines		bacterial metabolite;
environmental contaminant;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
hydrazine
diamine : Any polyamine that contains two amino groups.		7.32201azane;
hydrazines		EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor
thiocyanate
thiocyanate: RN given refers to parent cpd. thiocyanate : A pseudohalide anion obtained by deprotonation of the thiol group of thiocyanic acid.		8.7830pseudohalide anion;
sulfur molecular entity		human metabolite
paraoxon
[no description available]		1.9510aryl dialkyl phosphate;
organophosphate insecticide		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
mouse metabolite
monocrotaline
Monocrotaline: A pyrrolizidine alkaloid and a toxic plant constituent that poisons livestock and humans through the ingestion of contaminated grains and other foods. The alkaloid causes pulmonary artery hypertension, right ventricular hypertrophy, and pathological changes in the pulmonary vasculature. Significant attenuation of the cardiopulmonary changes are noted after oral magnesium treatment.		1.9710pyrrolizidine alkaloid
azacitidine
Azacitidine: A pyrimidine analogue that inhibits DNA methyltransferase, impairing DNA methylation. It is also an antimetabolite of cytidine, incorporated primarily into RNA. Azacytidine has been used as an antineoplastic agent.. 5-azacytidine : An N-glycosyl-1,3,5-triazine that is 4-amino-1,3,5-triazin-2(1H)-one substituted by a beta-D-ribofuranosyl residue via an N-glycosidic linkage. An antineoplastic agent, it is used in the treatment of myeloid leukaemia.		3.3560N-glycosyl-1,3,5-triazine;
nucleoside analogue		antineoplastic agent
flurothyl
Flurothyl: A convulsant primarily used in experimental animals. It was formerly used to induce convulsions as a alternative to electroshock therapy.		7.4120ether
diazomethane
Diazomethane: A diazonium compound with the formula CH2N2.. diazomethane : The simplest diazo compound, in which a diazo group is attached to a methylene group.		1.9410diazo compoundalkylating agent;
antineoplastic agent;
carcinogenic agent;
poison
perfluorooctanoic acid
perfluorooctanoic acid: RN given refers to parent cpd. perfluorooctanoic acid : A fluoroalkanoic acid that is perfluorinated octanoic acid.		2.2510fluoroalkanoic acidcarcinogenic agent;
endocrine disruptor;
environmental contaminant;
surfactant;
xenobiotic
carbutamide
Carbutamide: A sulfonylurea antidiabetic agent with similar actions and uses to CHLORPROPAMIDE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p277)		2.0510benzenes;
sulfonamide
2-fluoroaniline
2-fluoroaniline: structure given in first source; RN given refers to parent compound. 2-fluoroaniline : A derivative of aniline in which the hydrogen at position 2 has been substituted by fluorine. It is used as a pharmaceutical intermediate		2.0210fluoroaniline;
primary arylamine
2,2,2-trifluoroethyl methacrylate
[no description available]		2.0510
diethyl sulfide
ethyl sulfide : An aliphatic sulfide in which the sulfur atom is bonded to at least one ethyl group.. diethyl sulfide : An ethyl sulfide compound having two ethyl groups attached to a sulfur atom.		2.0410ethyl sulfide
perfluoromethylcyclohexane
[no description available]		2.3110
galantamine
Galantamine: A benzazepine derived from norbelladine. It is found in GALANTHUS and other AMARYLLIDACEAE. It is a cholinesterase inhibitor that has been used to reverse the muscular effects of GALLAMINE TRIETHIODIDE and TUBOCURARINE and has been studied as a treatment for ALZHEIMER DISEASE and other central nervous system disorders.. galanthamine : A benzazepine alkaloid isolated from certain species of daffodils.		2.4920benzazepine alkaloid fundamental parent;
benzazepine alkaloid;
organic heterotetracyclic compound;
tertiary amino compound		antidote to curare poisoning;
cholinergic drug;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
plant metabolite
1,2-difluorobenzene
1,2-difluorobenzene : A difluorobenzene carrying fluoro groups at positions 1 and 2.. difluorobenzene : Any member of the class of fluorobenzenes containing a mono- or poly-substituted benzene ring carrying two fluorine atoms.		2.4420difluorobenzeneanaesthetic
4-fluorophenol
4-fluorophenol: structure given in first source. 4-fluorophenol : A fluorophenol that is phenol in which the hydrogen para- to the hydroxy group has been replaced by a fluorine.		2.3820fluorophenol;
monofluorobenzenes
3-fluorophenol
3-fluorophenol: structure in first source		2.6830
1,3,5-trifluorobenzene
[no description available]		7.4620
citrulline
citrulline : The parent compound of the citrulline class consisting of ornithine having a carbamoyl group at the N(5)-position.		7.4110amino acid zwitterion;
citrulline		Daphnia magna metabolite;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
protective agent;
Saccharomyces cerevisiae metabolite
nickel acetate
[no description available]		2.0410
betamethasone
Betamethasone: A glucocorticoid given orally, parenterally, by local injection, by inhalation, or applied topically in the management of various disorders in which corticosteroids are indicated. Its lack of mineralocorticoid properties makes betamethasone particularly suitable for treating cerebral edema and congenital adrenal hyperplasia. (From Martindale, The Extra Pharmacopoeia, 30th ed, p724)		2.051011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-asthmatic agent;
anti-inflammatory drug;
immunosuppressive agent
hexafluorobenzene
[no description available]		3.6590fluorobenzenes;
fluorocarbon		NMR chemical shift reference compound
fluroxene
fluroxene: was heading 1973-94; use ETHERS to search FLUROXENE 1973-94		2.4120organofluorine compound
trifluoroacetic anhydride
[no description available]		1.9910
nandrolone
Nandrolone: C18 steroid with androgenic and anabolic properties. It is generally prepared from alkyl ethers of ESTRADIOL to resemble TESTOSTERONE but less one carbon at the 19 position.. nandrolone : A 3-oxo Delta(4)-steroid that is estr-4-en-3-one substituted by a beta-hydroxy group at position 17.		1.941017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
anabolic androgenic steroid		human metabolite
cyanogen
cyanogen: structure. oxalonitrile : A dinitrile that is ethane substituted by two cyano groups.		2.4920dinitrile;
pseudohalogen
hydantoins
Hydantoins: Compounds based on imidazolidine dione. Some derivatives are ANTICONVULSANTS.. imidazolidine-2,4-dione : An imidazolidinone with oxo groups at position 2 and 4.		5.3921imidazolidine-2,4-dione
fluorobenzenes
Fluorobenzenes: Derivatives of BENZENE that contain FLUORINE.. monofluorobenzene : The simplest member of the class of monofluorobenzenes that is benzene carrying a single fluoro substituent.. fluorobenzenes : Any fluoroarene that is a benzene or a substituted benzene carrying at least one fluoro group.		10.66250monofluorobenzenesNMR chemical shift reference compound
n-pentyl nitrite
Amyl Nitrite: A vasodilator that is administered by inhalation. It is also used recreationally due to its supposed ability to induce euphoria and act as an aphrodisiac.. n-pentyl nitrite : A nitrite ester having n-pentyl as the alkyl group.		1.9410nitrite estersvasodilator agent
propadiene
[no description available]		2.9840allenes
3,3-dimethyl-2-butanol
[no description available]		2.0510
dextropropoxyphene
Dextropropoxyphene: A narcotic analgesic structurally related to METHADONE. Only the dextro-isomer has an analgesic effect; the levo-isomer appears to exert an antitussive effect.. propoxyphene : A racemate of the (1R,2R)- and (1S,2R)- diastereoisomers.. dextropropoxyphene : The (1S,2R)-(+)-diastereoisomer of propoxyphene.		1.96101-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoatemu-opioid receptor agonist;
opioid analgesic
limestone
Calcium Carbonate: Carbonic acid calcium salt (CaCO3). An odorless, tasteless powder or crystal that occurs in nature. It is used therapeutically as a phosphate buffer in hemodialysis patients and as a calcium supplement.. calcium carbonate : A calcium salt with formula CCaO3.		8.0140calcium salt;
carbonate salt;
inorganic calcium salt;
one-carbon compound		antacid;
fertilizer;
food colouring;
food firming agent
glycyrrhetinic acid
[no description available]		2.0410cyclic terpene ketone;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		immunomodulator;
plant metabolite
hopane
hopane: RN given refers to cpd without isomeric designation		2.0210terpenoid fundamental parent;
triterpene
chenodeoxycholic acid
Chenodeoxycholic Acid: A bile acid, usually conjugated with either glycine or taurine. It acts as a detergent to solubilize fats for intestinal absorption and is reabsorbed by the small intestine. It is used as cholagogue, a choleretic laxative, and to prevent or dissolve gallstones.. chenodeoxycholic acid : A dihydroxy-5beta-cholanic acid that is (5beta)-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 7 respectively.. chenodeoxycholate : Conjugate base of chenodeoxycholic acid; major species at pH 7.3.		2.0510bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid		human metabolite;
mouse metabolite
fusarium
Fusarium: A mitosporic Hypocreales fungal genus, various species of which are important parasitic pathogens of plants and a variety of vertebrates. Teleomorphs include GIBBERELLA.		7.5120
cholanthrene
cholanthrene: structure given in first source		7.3720
menadiol
[no description available]		2.0410methylnaphthalenes;
naphthalenediols;
naphthohydroquinone
reticulin
Reticulin: A scleroprotein fibril consisting mostly of type III collagen. Reticulin fibrils are extremely thin, with a diameter of between 0.5 and 2 um. They are involved in maintaining the structural integrity in a variety of organs.		1.9410benzylisoquinoline alkaloid;
benzyltetrahydroisoquinoline;
isoquinolinol		plant metabolite
ninhydrin
Ninhydrin: 2,2-Dihydroxy-1H-indene-1,3-(2H)-dione. Reagent toxic to skin and mucus membranes. It is used in chemical assay for peptide bonds, i.e., protein determinations and has radiosensitizing properties.. ninhydrin : A member of the class of indanones that is indane-1,3-dione bearing two additional hydroxy substituents at position 2.		210aromatic ketone;
beta-diketone;
indanones;
ketone hydrate		colour indicator;
human metabolite
flavanone
flavanone: RN given refers to cpd with unspecified isomeric designation; structure in first source. flavanone : The simplest member of the class of flavanones that consists of flavan bearing an oxo substituent at position 4.		2.0410flavanones
bufotenin
Bufotenin: A hallucinogenic serotonin analog found in frog or toad skins, mushrooms, higher plants, and mammals, especially in the brains, plasma, and urine of schizophrenics. Bufotenin has been used as a tool in CNS studies and misused as a psychedelic.. bufotenin : A tertiary amine that consists of N,N-dimethyltryptamine bearing an additional hydroxy substituent at position 5.		1.9510tertiary amine;
tryptamine alkaloid		coral metabolite;
hallucinogen
4-methylquinoline
4-methylquinoline: structure given in first source; RN given refers to parent cpd. 4-methylquinoline : A methylquinoline carrying a methyl substituent at position 4.		2.4110methylquinolinemutagen
thioxanthone
thioxanthone: structure in first source		2.0610
hydratropic acid
hydratropic acid: RN given refers to cpd without isomeric designation; structure. hydratropic acid : A 2-arylpropionic acid carrying a phenyl group at position 2. It is a metabolite of alpha-methylstyrene (AMS), a volatile hydrocarbon.		6.93102-arylpropionic acidhuman xenobiotic metabolite
phenylpropanolamine
Phenylpropanolamine: A sympathomimetic that acts mainly by causing release of NOREPINEPHRINE but also has direct agonist activity at some adrenergic receptors. It is most commonly used as a nasal vasoconstrictor and an appetite depressant.. phenylpropanolamine : An amphetamine in which the parent 1-phenylpropan-2-amine skeleton is substituted at position 1 with an hydroxy group. A decongestant and appetite suppressant, it is commonly used in prescription and over-the-counter cough and cold preparations.. (-)-norephedrine : An amphetamine that is propylbenzene substituted by a hydroxy group at position 1 and by an amino group at position 2 (the 1R,2S-stereoisomer). It is a plant alkaloid.		1.9410amphetamines;
phenethylamine alkaloid		plant metabolite
indan
indan: structure in first source. indane : An ortho-fused bicyclic hydrocarbon consisting of a benzene ring fused to a cyclopentane ring; a high-boiling (176 (o)C) colourless liquid.		2.6630indanes;
ortho-fused bicyclic hydrocarbon
indoline
indoline: structure given in first source		7.9740indoles
dithiol
dithiol: structure		2.520
butenolide
butenolide: inhibits experimental allergic encephalomyelitis in rats. butenolide : A gamma-lactone that consists of a 2-furanone skeleton and its substituted derivatives.		2.0310butenolide
phloroglucinol dimethyl ether
phloroglucinol dimethyl ether: structure		2.0510methoxybenzenes;
phenols
dimethylacetylene
dimethylacetylene: structure in source		3.1510
azetidine
[no description available]		2.2110azacycloalkane;
azetidines;
saturated organic heteromonocyclic parent
alpha-aminopyridine
alpha-aminopyridine: RN given refers to parent cpd; structure in Merck Index, 9th ed, #485. aminopyridine : Compounds containing a pyridine skeleton substituted by one or more amine groups.		2.7130
1,3-propanediol
propane-1,3-diol : The simplest member of the class of propane-1,3-diols, consisting of propane in which one hydrogen from each methyl group is substituted by a hydroxy group. A colourless, viscous, water-miscible liquid with a high (210degreeC) boiling point, it is used in the synthesis of certain polymers and as a solvent and antifreeze.		2.0510propane-1,3-diolsmetabolite;
protic solvent
thiazolidines
Thiazolidines: Reduced (protonated) form of THIAZOLES. They can be oxidized to THIAZOLIDINEDIONES.		3.7730thiazolidine
mustard gas
Mustard Gas: Severe irritant and vesicant of skin, eyes, and lungs. It may cause blindness and lethal lung edema and was formerly used as a war gas. The substance has been proposed as a cytostatic and for treatment of psoriasis. It has been listed as a known carcinogen in the Fourth Annual Report on Carcinogens (NTP-85-002, 1985) (Merck, 11th ed).. bis(2-chloroethyl) sulfide : An ethyl sulfide that is diethyl sulfide in which a hydrogen from each of the terminal methyl groups is replaced by a chlorine. It is a powerful vesicant regulated under the Chemical Weapons Convention.		2.2510ethyl sulfide;
organochlorine compound		alkylating agent;
carcinogenic agent;
vesicant
abietic acid
abietic acid : An abietane diterpenoid that is abieta-7,13-diene substituted by a carboxy group at position 18.		1.9710abietane diterpenoid;
monocarboxylic acid		plant metabolite
podophyllotoxin
Podophyllum: A genus of poisonous American herbs, family BERBERIDACEAE. The roots yield PODOPHYLLOTOXIN and other pharmacologically important agents. The plant was formerly used as a cholagogue and cathartic. It is different from the European mandrake, MANDRAGORA.		2.0510furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator
dihydrotestosterone
Dihydrotestosterone: A potent androgenic metabolite of TESTOSTERONE. It is produced by the action of the enzyme 3-OXO-5-ALPHA-STEROID 4-DEHYDROGENASE.. 17beta-hydroxyandrostan-3-one : A 17beta-hydroxy steroid that is testosterone in which the 4-5 double bond has been reduced to a single bond with unspecified configuration at position 5.. 17beta-hydroxy-5alpha-androstan-3-one : A 17beta-hydroxy steroid that is testosterone in which the 4,5 double bond has been reduced to a single bond with alpha-configuration at position 5.		3.492017beta-hydroxy steroid;
17beta-hydroxyandrostan-3-one;
3-oxo-5alpha-steroid		androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite
hemimellitene
hemimellitene: structure. 1,2,3-trimethylbenzene : A trimethylbenzene carrying methyl groups at positions 1, 2 and 3. It has been found in Centaurium erythraea.		2.420trimethylbenzeneneurotoxin;
plant metabolite
azomycin
azomycin: RN given refers to parent cpd with specified locant; structure		2.2110C-nitro compound;
imidazoles		antitubercular agent
1,2-dinitrobenzene
[no description available]		2.0610dinitrobenzene
chrysoidine
chrysoidine: RN given refers to parent cpd; structure		2.3320
2-iodophenol
[no description available]		7.06102-halophenol;
iodophenol
hydroxyhydroquinone
benzene-1,2,4-triol : A benzenetriol carrying hydroxy groups at positions 1, 2 and 4.		5.48210benzenetriolmouse metabolite
2-methylfuran
2-methylfuran : A member of the class of furans that is furan in which the hydrogen at position 2 is replaced by a methyl group.		2.5720furans;
volatile organic compound		flavouring agent;
fuel;
hepatotoxic agent;
human urinary metabolite;
plant metabolite
4,6-dinitro-o-cresol
4,6-dinitro-o-cresol: RN given refers to parent cpd; structure. 4,6-dinitro-o-cresol : A hydroxytoluene that is o-cresol carrying nitro substituents at positions 4 and 6.		2.2110dinitrophenol acaricide;
hydroxytoluene;
nitrotoluene		dinitrophenol insecticide;
fungicide;
herbicide
phenylacetylene
phenylacetylene: can polymerize into DENDRIMERS		3.1450benzenes
3-anisidine
3-anisidine: structure		2.4110aromatic ether;
substituted aniline
methamphetamine
Methamphetamine: A central nervous system stimulant and sympathomimetic with actions and uses similar to DEXTROAMPHETAMINE. The smokable form is a drug of abuse and is referred to as crank, crystal, crystal meth, ice, and speed.. methamphetamine : A member of the class of amphetamines in which the amino group of (S)-amphetamine carries a methyl substituent.		2.0210amphetamines;
secondary amine		central nervous system stimulant;
environmental contaminant;
neurotoxin;
psychotropic drug;
xenobiotic
trilaurin
trilaurin : A triglyceride obtained by formal acylation of the three hydroxy groups of glycerol by lauric (dodecanoic) acid.		1.9610dodecanoate ester;
triglyceride
4-chloroacetanilide
4-chloroacetanilide : Acetamide substituted on nitrogen by a para-chlorophenyl group.		210acetamides;
monochlorobenzenes
Ethyl pentanoate
ethyl valerate: a green apple flavoring agent		3.0710fatty acid ester
4-iodophenol
[no description available]		2.3820iodophenol
1-chloropropane
1-chloropropane: structure in first source		2.4220
1,2-dichloroethylene
1,2-dichloroethylene: RN given refers to cpd without isomeric designation		7.7830chloroethenes
2,2,4-trimethylpentane
2,2,4-trimethylpentane: nephrotoxic. isooctane : An alkane that consists of pentane bearing two methyl substituents at position 2 and a single methyl substituent at position 4.		2.7130alkane;
volatile organic compound		fuel additive;
nephrotoxin;
non-polar solvent
butyramide
butanamide : A monocarboxylic acid amide obtained by formal condensation of butanoic acid and ammonia.		1.9510butanamides;
primary fatty amide
isovaleramide
isovaleramide: inhibits liver alcohol dehydrogenases		1.9510
maleimide
[no description available]		7.420dicarboximide;
maleimides		EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
1,3-dichlorobenzene
1,3-dichlorobenzene : A dichlorobenzene carrying chloro substituents at positions 1 and 3.		3.9840dichlorobenzene
malondialdehyde
Malondialdehyde: The dialdehyde of malonic acid.. malonaldehyde : A dialdehyde that is propane substituted by two oxo groups at the terminal carbon atoms respectively. A biomarker of oxidative damage to lipids caused by smoking, it exists in vivo mainly in the enol form.		3.86110dialdehydebiomarker
bis(chloromethyl) ether
Bis(Chloromethyl) Ether: A substance that is an irritant to the eyes and respiratory tract and may be carcinogenic.. bis(chloromethyl) ether : An ether that is dimethyl ether in which one of the hydrogens attached to each of the methyl group has replaced by a chlorine.		3.0510ether;
organochlorine compound		alkylating agent;
carcinogenic agent
1-chlorohexane
[no description available]		2.0410
myristic acid
Myristic Acid: A saturated 14-carbon fatty acid occurring in most animal and vegetable fats, particularly butterfat and coconut, palm, and nutmeg oils. It is used to synthesize flavor and as an ingredient in soaps and cosmetics. (From Dorland, 28th ed). tetradecanoic acid : A straight-chain, fourteen-carbon, long-chain saturated fatty acid mostly found in milk fat.. tetradecanoate : A long-chain fatty acid anion that is the conjugate base of myristic acid; major species at pH 7.3.		2.0110long-chain fatty acid;
straight-chain saturated fatty acid		algal metabolite;
Daphnia magna metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
human metabolite
n-hexadecane
n-hexadecane: structure. hexadecane : A straight-chain alkane with 16 carbon atoms. It is a component of essential oil isolated from long pepper.		2.9440long-chain alkanenon-polar solvent;
plant metabolite;
volatile oil component
trinitrobenzenesulfonic acid
Trinitrobenzenesulfonic Acid: A reagent that is used to neutralize peptide terminal amino groups.. 2,4,6-trinitrobenzenesulfonic acid : The arenesulfonic acid that is benzenesulfonic acid with three nitro substituents in the 2-, 4- and 6-positions.		2.4110arenesulfonic acid;
C-nitro compound		epitope;
explosive;
reagent
gentian violet
Gentian Violet: A dye that is a mixture of violet rosanilinis with antibacterial, antifungal, and anthelmintic properties.. crystal violet : An organic chloride salt that is the monochloride salt of crystal violet cation. It has been used in creams for the topical treatment of bacterial and fungal infections, being effective against some Gram-positive bacteria (notably Staphylococcus species) and some pathogenic fungi (including Candida species) but use declined following reports of animal carcinogenicity. It has also been used for dying wood, silk, and paper, as well as a histological stain.		1.9410organic chloride saltanthelminthic drug;
antibacterial agent;
antifungal agent;
antiseptic drug;
histological dye
2-methyl-1,4-benzoquinone
cresoquinone: no further information available 6/2003		2.0310
3-nitrophenol
[no description available]		2.38203-nitrophenols
trimesic acid
trimesic acid: RN given refers to parent cpd. benzene-1,3,5-tricarboxylic acid : A tricarboxylic acid that consists of benzene substituted by carboxy groups at positions 1, 3 and 5.		2.0210benzoic acids;
tricarboxylic acid
glycerylphosphorylcholine
Glycerylphosphorylcholine: A component of PHOSPHATIDYLCHOLINES or LECITHINS, in which the two hydroxy groups of GLYCEROL are esterified with fatty acids. (From Stedman, 26th ed)		2.3720glycerophosphocholine
malachite green
malachite green: RN given refers to parent cpd; structure. malachite green : An organic chloride salt that is the monochloride salt of malachite green cation. Used as a green-coloured dye, as a counter-stain in histology, and for its anti-fungal properties in aquaculture.		2.4720organic chloride saltantibacterial agent;
antifungal drug;
carcinogenic agent;
environmental contaminant;
fluorochrome;
histological dye;
teratogenic agent
1,4-dimethylnaphthalene
1,4-dimethylnaphthalene : A dimethylnaphthalene carrying methyl groups at positions 1 and 4.		2.0410dimethylnaphthalene
congo red
Congo Red: An acid dye used in testing for hydrochloric acid in gastric contents. It is also used histologically to test for AMYLOIDOSIS.. Congo Red : An indicator dye that is blue-violet at pH 3.0 and red at pH 5.0.		2.4420bis(azo) compound
lactulose
[no description available]		2.0210glycosylfructosegastrointestinal drug;
laxative
2,3-dichlorophenol
dichlorophenol : Any chlorophenol carrying chloro substituents.		210
2,6-xylenol
[no description available]		2.0210hydroxytoluene
docusate
Dioctyl Sulfosuccinic Acid: All-purpose surfactant, wetting agent, and solubilizer used in the drug, cosmetics, and food industries. It has also been used in laxatives and as cerumenolytics. It is usually administered as either the calcium, potassium, or sodium salt.		2.7430diester;
organosulfonic acid
3-hydroxyflavone
3-hydroxyflavone: structure given in first source. flavonol : A monohydroxyflavone that is the 3-hydroxy derivative of flavone.		2.4110flavonols;
monohydroxyflavone
2-methoxybenzoic acid
O-methylsalicylic acid : A methoxybenzoic acid that is the methyl ether of salicylic acid.		2.0210methoxybenzoic acidflavouring agent;
non-steroidal anti-inflammatory drug
2,6-dimethylnaphthalene
2,6-dimethylnaphthalene: RN given refers to parent cpd. 2,6-dimethylnaphthalene : A dimethylnaphthalene carrying methyl groups at positions 2 and 6.		2.0410dimethylnaphthaleneenvironmental contaminant
1,2-dibromobenzene
dibromobenzene : Any member of the class of bromobenzenes that consists of a benzene or a substituted benzene ring carrying two bromo groups at unspecified positions.		2.0410dibromobenzene
2-benzoquinone
2-benzoquinone: reacts with methionines of RNAase at pH 1; reagent for determining conformational differences in related proteins. 1,2-benzoquinone : A benzoquinone resulting from the formal oxidation of catechol.		2.92401,2-benzoquinones;
benzoquinone
succinimide
succinimide: RN given refers to parent cpd. succinimide : A dicarboximide that is pyrrolidine which is substituted by oxo groups at positions 2 and 5.		1.9510dicarboximide;
pyrrolidinone
toluene 2,4-diisocyanate
Toluene 2,4-Diisocyanate: Skin irritant and allergen used in the manufacture of polyurethane foams and other elastomers.. toluene 2,4-diisocyanate : A toluene meta-diisocyanate in which the isocyanato groups are at positions 2 and 4 relative to the methyl group on the benzene ring.		2.3620toluene meta-diisocyanateallergen;
hapten
nitrosobenzene
[no description available]		2.0610benzenes;
nitroso compound		xenobiotic metabolite
3-methylhexane
3-methylhexane: a biliary biomarker for cholangiocarcinoma. 3-methylhexane : An alkane that is hexane substituted by a methyl group at position 3.		4.7321alkane;
volatile organic compound		human metabolite
3-bromophenol
[no description available]		2.3820
3,5-dimethylpyridine
[no description available]		2.0310
3,5-dichlorophenol
3,5-dichlorophenol : A dichlorophenol in which the two chloro substituents are located at positions 3 and 5.		2.4420dichlorophenol
iodobenzene
iodobenzene: RN given refers to unlabeled parent cpd		3.2460
levulinic acid
levulinic acid: inhibits 5-aminolevulinic acid dehydratase; RN given refers to parent cpd; structure in Merck Index, 9th ed, #5316. 4-oxopentanoic acid : An oxopentanoic acid with the oxo group in the 4-position.		2.3420oxopentanoic acid;
straight-chain saturated fatty acid		plant metabolite
methyl n-butyl ketone
Methyl n-Butyl Ketone: An industrial solvent which causes nervous system degeneration. MBK is an acronym often used to refer to it.. hexanone : A ketone that is a hexane carrying an oxo substituent at unspecified position.		2.3920ketone
allyl acetate
allyl acetate: potential fumigant for treating stored grains		2.0510
1-hexene
1-hexene: structure in first source. 1-hexene : An alkene that is hexane carrying a double bond at position 1.		2.0410alkene
1,3-cyclohexadiene
1,3-cyclohexadiene: structure given in first source		7.7130cyclohexadiene
allyl sulfide
allyl sulfide: essence of garlic; inhibits CYP2E1		3.8630organic sulfide
methyl carbamate
methyl carbamate : A carbamate ester resulting from the formal condensation of the carboxy group of carbamic acid with methanol.		1.9510carbamate ester
n,n-dimethylethylamine
[no description available]		2.1510
2,3-pentanedione
pentane-2,3-dione : An alpha-diketone that is pentane substituted at the 2- and 3-positions by oxo groups.		2.0310alpha-diketone;
methyl ketone		flavouring agent
alpha-naphthoflavone
alpha-naphthoflavone: inhibits P4501A1 and P4501A2; stimulates some activities of P4503A4. alpha-naphthoflavone : An extended flavonoid resulting from the formal fusion of a benzene ring with the h side of flavone. A synthetic compound, it is an inhibitor of aromatase (EC 1.14.14.14).		1.9610extended flavonoid;
naphtho-gamma-pyrone;
organic heterotricyclic compound		aryl hydrocarbon receptor agonist;
aryl hydrocarbon receptor antagonist;
EC 1.14.14.14 (aromatase) inhibitor
2,6-dinitrotoluene
2,6-dinitrotoluene: RN given refers to cpd with specified locants for nitrogen moieties. 2,6-dinitrotoluene : A dinitrotoluene carrying nitro substituents at positions 2 and 6.		2.0610dinitrotoluenegenotoxin
pentachlorobenzene
pentachlorobenzene: structure. pentachlorobenzene : A member of the class of pentachlorobenzenes that is benzene in which five of the hydrogens are replaced by chlorines. Now classed as a persistent organic pollutant under the Stockholm Convention.		3.7830pentachlorobenzenespersistent organic pollutant
2-cyanophenol
2-cyanophenol: structure in first source		2.4520benzenes;
nitrile
phenylglyoxylic acid
phenylglyoxylic acid: styrene metabolite. phenylglyoxylic acid : A 2-oxo monocarboxylic acid that is glyoxylic acid in which the aldehyde hydrogen is substituted by a phenyl group.		2.41202-oxo monocarboxylic acidbiomarker;
human xenobiotic metabolite
n,n-dimethylbenzamide
[no description available]		1.9510
2-methylanthracene
2-methylanthracene: structure given in first source		2.0410
acetylcysteine
N-acetyl-L-cysteine : An N-acetyl-L-amino acid that is the N-acetylated derivative of the natural amino acid L-cysteine.		9.071141acetylcysteine;
L-cysteine derivative;
N-acetyl-L-amino acid		antidote to paracetamol poisoning;
antiinfective agent;
antioxidant;
antiviral drug;
ferroptosis inhibitor;
geroprotector;
human metabolite;
mucolytic;
radical scavenger;
vulnerary
3-isopropylphenol
3-isopropylphenol: RN given refers to parent cpd		2.0510
3-ethyltoluene
[no description available]		2.0210toluenes
3-ethylphenol
[no description available]		2.0510phenols
isovanillin
isovanillin: inhibits aldehyde oxidase. isovanillin : A member of the class of benzaldehydes that is 4-methoxybenzaldehyde substituted by a hydroxy group at position 3. It is an inhibitor of aldehyde oxidase.		2.0210benzaldehydes;
monomethoxybenzene;
phenols		animal metabolite;
antidiarrhoeal drug;
antifungal agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
HIV protease inhibitor;
plant metabolite
4-Ethoxyphenol
[no description available]		2.0510aromatic ether;
phenols
4-ethyltoluene
[no description available]		2.0210
methyl butyrate
[no description available]		210fatty acid ester
methyl isocyanate
methyl isocyanate: structure. methyl isocyanate : The isocyanate that is methane modified by a single isocyanato substituent.		1.9710isocyanatesallergen;
apoptosis inducer
dimethyl disulfide
[no description available]		2.6530organic disulfidexenobiotic metabolite
2,5-dimethylfuran
2,5-dimethylfuran: metabolite of n-hexane. 2,5-dimethylfuran : A member of the class of furans that is furan in which the hydrogens at positions 2 and 5 are replaced by methyl groups.		3.250furansantifungal agent;
bacterial metabolite;
fuel;
fumigant;
human urinary metabolite;
Maillard reaction product;
plant metabolite
2-hexanol
hexan-2-ol : A hexanol in which the hydroxy group is at position 2.		3.520hexanol;
secondary alcohol		human metabolite;
plant metabolite;
semiochemical
diethylmercury
[no description available]		210
1,4-cyclohexadiene
[no description available]		7.9440cyclohexadiene
amyl acetate
amyl acetate: sources do not specify n-isomer. pentyl acetate : An acetate ester of pentanol.		3.4920acetate estermetabolite
hexamethylene glycol
hexane-1,6-diol : A diol that is hexane substituted by hydroxy groups at positions 1 and 6.		2.3820diol;
primary alcohol
n-tetradecane
tetradecane : A straight chain alkane consisting of 14 carbon atoms.		2.0210long-chain alkaneplant metabolite;
volatile oil component
tetraphenylmethane
[no description available]		2.0510
c.i. 42510
Rosaniline Dyes: Compounds that contain the triphenylmethane aniline structure found in rosaniline. Many of them have a characteristic magenta color and are used as COLORING AGENTS.. basic fuchsin : A four-component mixture of chemically related dyes comprising pararosanilin, rosanilin, magenta II and new fuchsin in varying amounts. rosanilin : A hydrochloride that is the monohydrochloride of 4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline. One of the major constituents of Basic fuchsin, together with pararosanilin, magenta II and new fuchsin.		2.940
phendimetrazine
phendimetrazine: minor descriptor (66-86); file maintained to MORPHOLINES (66-86); on-line & INDEX MEDICUS search MORPHOLINES (66-86); RN given refers to parent cpd without isomeric designation		1.9310
1,2,3,4-tetrachlorobenzene
1,2,3,4-tetrachlorobenzene : A tetrachlorobenzene carrying chloro groups at positions 1, 2 , 3 and 4.. tetrachlorobenzene : Any member of the class of chlorobenzenes carrying four chloro groups at unspecified positions.		3.520tetrachlorobenzene
1,2,3,5-tetrachlorobenzene
1,2,3,5-tetrachlorobenzene : A tetrachlorobenzene carrying chloro groups at positions 1, 2, 3 and 5.		3.7830tetrachlorobenzene
ethyl tert-butyl ether
ethyl tert-butyl ether: gasoline additive. tert-butyl ethyl ether : An ether having ethyl and tert-butyl as the two alkyl components. It is used as an engine fuel additive to reduce emissions of carbon monoxide and soot.		2.4720ether;
volatile organic compound		fuel additive
erythromycin
Erythromycin: A bacteriostatic antibiotic macrolide produced by Streptomyces erythreus. Erythromycin A is considered its major active component. In sensitive organisms, it inhibits protein synthesis by binding to 50S ribosomal subunits. This binding process inhibits peptidyl transferase activity and interferes with translocation of amino acids during translation and assembly of proteins.. erythromycin : Any of several wide-spectrum macrolide antibiotics obtained from actinomycete Saccharopolyspora erythraea (formerly known as Streptomyces erythraeus).. erythromycin A : An erythromycin that consists of erythronolide A having 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl and 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl residues attahced at positions 4 and 6 respectively.		2.5220cyclic ketone;
erythromycin
precocene ii
precocene II: has antibacterial, antifungal, insecticidal, and antioxidant activities; from plants of genus Ageratum; an antiallotropin compound capable of inhibiting juvenile hormone biosynthesis		1.9710chromenesprecocenes
2-propylphenol
2-propylphenol : A member of the class of phenols that is phenol which is substituted by a propyl group at position 2.		2.0810phenolsflavouring agent;
plant metabolite
4-propylphenol
4-propylphenol: structure given in first source		2.0510alkylbenzene
nitrosoguanidines
Nitrosoguanidines: Nitrosylated derivatives of guanidine. They are used as MUTAGENS in MOLECULAR BIOLOGY research.		3.0510
2-piperidone
2-piperidone: structure given in first source. piperidin-2-one : A delta-lactam that is piperidine which is substituted by an oxo group at position 2.		2.4420delta-lactam;
piperidones		EC 1.2.1.88 (L-glutamate gamma-semialdehyde dehydrogenase) inhibitor
hempa
Hempa: A chemosterilant agent that is anticipated to be a carcinogen.		2.420phosphoramideinsect sterilant;
mutagen
2,2-dichloroacetamide
[no description available]		2.0210
methylnitrosourea
Methylnitrosourea: A nitrosourea compound with alkylating, carcinogenic, and mutagenic properties.. N-methyl-N-nitrosourea : A member of the class of N-nitrosoureas that is urea in which one of the nitrogens is substituted by methyl and nitroso groups.		2.3620N-nitrosoureasalkylating agent;
carcinogenic agent;
mutagen;
teratogenic agent
2-chloroethyl ethyl sulfide
[no description available]		2.2510
pyridine n-oxide
pyridine N-oxide: RN given refers to parent cpd. pyridine N-oxide : The pyridine N-oxide derived from the parent pyridine. It is a drug metabolite of the antihypertensive agent pinacidil.		2.4720pyridine N-oxidesdrug metabolite
pentamethylbenzene
[no description available]		2.1110methylbenzene
2-hydroxy-1-naphthaldehyde
2-hydroxynaphthaldehyde: structure in first source. 2-hydroxy-1-naphthaldehyde : A member of the class of naphthaldehydes that is naphthalene-1-carbaldehyde substituted by a hydroxy group at position 2. Active core of sirtinol (CHEBI:73158).		2.1110naphthaldehydes;
naphthols
1,2,4,5-tetracyanobenzene
1,2,4,5-tetracyanobenzene: structure in first source		710
ethylnitrosourea
Ethylnitrosourea: A nitrosourea compound with alkylating, carcinogenic, and mutagenic properties.. N-ethyl-N-nitrosourea : A member of the class of N-nitrosoureas that is urea in which one of the nitrogens is substituted by ethyl and nitroso groups.		1.9810N-nitrosoureasalkylating agent;
carcinogenic agent;
genotoxin;
mutagen
4-cyanophenol
4-cyanophenol: reversible monoamine oxidase inhibitor		2.4820phenolsEC 1.4.3.4 (monoamine oxidase) inhibitor
9-methylanthracene
[no description available]		2.0410
phenyltriethoxysilane
[no description available]		2.0610
9,10-dimethylanthracene
9,10-dimethylanthracene: RN given refers to parent ion		2.0410
levonorgestrel
Levonorgestrel: A synthetic progestational hormone with actions similar to those of PROGESTERONE and about twice as potent as its racemic or (+-)-isomer (NORGESTREL). It is used for contraception, control of menstrual disorders, and treatment of endometriosis.		4.962117beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound		contraceptive drug;
female contraceptive drug;
progestin;
synthetic oral contraceptive
phenylcyclohexane
phenylcyclohexane: pyrolysis product of phencyclidine		1.9510
4-nitrophenyl acetate
[no description available]		2.3820C-nitro compound;
phenyl acetates
1-methylphenanthrene
1-methylphenanthrene: structure in first source. 1-methylphenanthrene : A member of the class of phenanthrenes that is phenanthrene substituted by a methyl group at position 1.		2.0410phenanthrenesmutagen
ethyl n-alpha-acetyl-tyrosinate
ethyl N-alpha-acetyl-tyrosinate: RN given refers to parent cpd. ethyl N-acetyl-L-tyrosinate : An L-tyrosine derivative that is the ethyl ester of N-acetyltyrosine.		2.3720acetamides;
ethyl ester;
L-tyrosine derivative;
phenols
diphenyl disulfide
[no description available]		7.0510benzenes
dodecylamine
dodecylamine: RN given refers to parent cpd		2.0510primary aliphatic amine
cyclopentenone
2-cyclopenten-1-one : An enone that is cyclopentanone having a C=C double bond at position 2.		2.4320alicyclic ketone;
enone		Hsp70 inducer
3-methoxycatechol
3-methoxycatechol : A member of the class of catechols that is catechol in which a hydrogen that is ortho to one of the hydroxy groups has been replaced by a methoxy group. It displays agonistic activity against G protein-coupled receptor 35 (GPR35).		2.0210aromatic ether;
catechols		G-protein-coupled receptor agonist
salicyl hydrazide
2-hydroxybenzohydrazide: structure in first source		2.0710
4-phenylpyridine
[no description available]		2.0210phenylpyridine
2-phenoxypropanoic acid
2-phenoxypropanoic acid: structure in first source		2.0310aromatic ether;
carboxylic acid
diphenyl sulfoxide
diphenyl sulfoxide: electron acceptor for liver aldehyde oxidase		2.4320sulfoxide
deoxycytidine
[no description available]		2.4920pyrimidine 2'-deoxyribonucleosideEscherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
deoxyuridine
[no description available]		1.9410pyrimidine 2'-deoxyribonucleosideEscherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
2'-deoxyadenosine
2'-deoxyformycin A: RN not in Chemline 9/85; RN and structure given in first source		2.0710purine 2'-deoxyribonucleoside;
purines 2'-deoxy-D-ribonucleoside		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
rhodamine 6g
rhodamine 6G: RN given refers to HCl		7.0610
oxalic acid hydrazide
[no description available]		3.2310
diethyl acetamidomalonic acid
diethyl acetamidomalonic acid: RN given refers to unlabeled parent cpd		1.9510
ethambutol
Ethambutol: An antitubercular agent that inhibits the transfer of mycolic acids into the cell wall of the tubercle bacillus. It may also inhibit the synthesis of spermidine in mycobacteria. The action is usually bactericidal, and the drug can penetrate human cell membranes to exert its lethal effect. (From Smith and Reynard, Textbook of Pharmacology, 1992, p863). ethambutol : An ethylenediamine derivative that is ethane-1,2-diamine in which one hydrogen attached to each of the nitrogens is sutstituted by a 1-hydroxybutan-2-yl group (S,S-configuration). It is a bacteriostatic antimycobacterial drug, effective against Mycobacterium tuberculosis and some other mycobacteria. It is used (as the dihydrochloride salt) in combination with other antituberculous drugs in the treatment of pulmonary and extrapulmonary tuberculosis; resistant strains of M. tuberculosis are readily produced if ethambutol is used alone.		1.9410ethanolamines;
ethylenediamine derivative		antitubercular agent;
environmental contaminant;
xenobiotic
phenylglyoxal
[no description available]		1.9310phenylacetaldehydes
undecane
undecane : A straight-chain alkane with 11 carbon atoms.		2.4420alkane
2-phenylpropanol
2-phenylpropanol-1: RN given refers to cpd without isomeric designation		2.0810benzenes
tetramethylpyrazine
tetramethylpyrazine: found in Ligusticum chuanxiong. tetramethylpyrazine : A member of the class of pyrazines that is pyrazine in which all four hydrogens have been replaced by methyl groups. An alkaloid extracted from Chuanxiong (Ligusticum wallichii).		7.0310alkaloid;
pyrazines		antineoplastic agent;
apoptosis inhibitor;
bacterial metabolite;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent
metolcarb
metolcarb: pesticide; structure in first source		1.9510carbamate esteracaricide;
agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
decabromobiphenyl ether
decabromobiphenyl ether: a flame retardant. decabromodiphenyl ether : A polybromodiphenyl ether that is diphenyl ether in which all of the hydrogens have been replaced by bromines.		2.610polybromodiphenyl etherneurotoxin
methyl phenyl sulfoxide
(methylsulfinyl)benzene : A sulfoxide resulting from the formal oxidation of the sulfur atom of thioanisole.		2.0210benzenes;
sulfoxide
citiolone
citiolone: RN given refers to cpd without isomeric designation; structure		1.9310N-acyl-amino acid
2,2'-dipyridylamine
dipyridin-2-ylamine: structure in first source		2.0610
methyl hippurate
methyl hippurate : A glycine derivative that is the methyl ester of hippuric acid.		1.9510glycine derivative;
methyl ester		metabolite
gallium arsenide
[no description available]		2.0610
calcium peroxide
[no description available]		4.811calcium oxides
durapatite
Durapatite: The mineral component of bones and teeth; it has been used therapeutically as a prosthetic aid and in the prevention and treatment of osteoporosis.. hydroxylapatite : A phosphate mineral with the formula Ca5(PO4)3(OH).		2.4120
sodium hydroxide
Sodium Hydroxide: A highly caustic substance that is used to neutralize acids and make sodium salts. (From Merck Index, 11th ed)		3.84120alkali metal hydroxide
manganese dioxide
[no description available]		10.6651manganese molecular entity;
metal oxide
molybdenum trioxide
[no description available]		2.0210molybdenum oxide
zinc oxide
Zinc Oxide: A mild astringent and topical protectant with some antiseptic action. It is also used in bandages, pastes, ointments, dental cements, and as a sunblock.		6.3101zinc molecular entity
thorium dioxide
Thorium Dioxide: Thorium oxide (ThO2). A radiographic contrast agent that was used in the early 1930s through about 1954. High rates of mortality have been linked to its use and it has been shown to cause liver cancer.		2.4120thorium molecular entity
vanadium pentoxide
[no description available]		2.7530vanadium oxide
lead sulfide
lead sulfide: surma refers to fine powder-like mascara, applied to conjunctival surfaces of eyes; originally contained antimony sulfide (derived from Urdu word for antimony); recently lead sulfide has been used due to scarcity of antimony; RN given refers to cpd with MF of Pb-S; galena is the principal ore of lead sulfide. Black kohl stone and red-brown kohl stone are widely used in eye cosmetics in the Middle East, Asia and Africa		2.0710
beta-pinene
beta-pinene: alpha-pinene is also available. beta-pinene : An isomer of pinene with an exocyclic double bond. It is a component of essential oils from many plants.		2.5920pineneplant metabolite
hydrofluoric acid
Hydrofluoric Acid: Hydrofluoric acid. A solution of hydrogen fluoride in water. It is a colorless fuming liquid which can cause painful burns.. hydrogen fluoride : A diatomic molecule containing covalently bonded hydrogen and fluorine atoms.. organofluorine compound : An organofluorine compound is a compound containing at least one carbon-fluorine bond.		2.3920hydrogen halide;
mononuclear parent hydride		NMR chemical shift reference compound
vancomycin
Vancomycin: Antibacterial obtained from Streptomyces orientalis. It is a glycopeptide related to RISTOCETIN that inhibits bacterial cell wall assembly and is toxic to kidneys and the inner ear.. vancomycin : A complex glycopeptide from Streptomyces orientalis. It inhibits a specific step in the synthesis of the peptidoglycan layer in the Gram-positive bacteria Staphylococcus aureus and Clostridium difficile.		2.4110glycopeptideantibacterial drug;
antimicrobial agent;
bacterial metabolite
d-alpha tocopherol
Vitamin E: A generic descriptor for all TOCOPHEROLS and TOCOTRIENOLS that exhibit ALPHA-TOCOPHEROL activity. By virtue of the phenolic hydrogen on the 2H-1-benzopyran-6-ol nucleus, these compounds exhibit varying degree of antioxidant activity, depending on the site and number of methyl groups and the type of ISOPRENOIDS.. tocopherol : A collective name for a group of closely related lipids that contain a chroman-6-ol nucleus substituted at position 2 by a methyl group and by a saturated hydrocarbon chain consisting of three isoprenoid units. They are designated as alpha-, beta-, gamma-, and delta-tocopherol depending on the number and position of additional methyl substituents on the aromatic ring. Tocopherols occur in vegetable oils and vegetable oil products, almost exclusively with R,R,R configuration. Tocotrienols differ from tocopherols only in having three double bonds in the hydrocarbon chain.. vitamin E : Any member of a group of fat-soluble chromanols that exhibit biological activity against vitamin E deficiency. The vitamers in this class consists of a chroman-6-ol core which is substituted at position 2 by a methyl group and (also at position 2) either a saturated or a triply-unsaturated hydrocarbon chain consisting of three isoprenoid units. The major function of vitamin E is to act as a natural antioxidant by scavenging free radicals and molecular oxygen.. (R,R,R)-alpha-tocopherol : An alpha-tocopherol that has R,R,R configuration. The naturally occurring stereoisomer of alpha-tocopherol, it is found particularly in sunflower and olive oils.		3.4680alpha-tocopherolalgal metabolite;
antiatherogenic agent;
anticoagulant;
antioxidant;
antiviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunomodulator;
micronutrient;
nutraceutical;
plant metabolite
tocopherols
[no description available]		2.0810
isonicotinamide
isonicotinamide : A pyridinecarboxamide that is the monocarboxylic acid amide derivative of isonicotinic acid.		6.9410pyridinecarboxamide
fluanisone
fluanisone: former provisional as haloanisone; structure; RN given refers to parent cpd		1.9610aromatic ketone
bisphenol a-glycidyl methacrylate
Bisphenol A-Glycidyl Methacrylate: The reaction product of bisphenol A and glycidyl methacrylate that undergoes polymerization when exposed to ultraviolet light or mixed with a catalyst. It is used as a bond implant material and as the resin component of dental sealants and composite restorative materials.		2.0610diarylmethane
methyl tert-butyl ether
methyl tert-butyl ether: used to dissolve gallstones; gasoline additive. methyl tert-butyl ether : An ether having methyl and tert-butyl as the two alkyl components.		8.49631etherfuel additive;
metabolite;
non-polar solvent
4-n-Butylphenol
[no description available]		2.0510phenols
tert-butyl acrylate
tert-butyl acrylate: structure in first source		2.2110
4-hydroxyazobenzene
4-hydroxyazobenzene: structure in first source		7.0310
6-methylchrysene
6-methylchrysene: RN given refers to parent cpd; structure given in first source		2.0410carbopolycyclic compound
decane
decane : A straight-chain alkane with 10 carbon atoms.		2.9340alkane
n-benzyloxycarbonylglycine 4-nitrophenyl ester
N-benzyloxycarbonylglycine 4-nitrophenyl ester: hydrolyzed by papain		1.9510
2-allylphenol
2-allylphenol: structure given in first source. 2-allylphenol : A member of the class of phenols that is phenol carrying an allyl group at position 2.		2.0810phenolsantifungal agrochemical
4-hydroxyphenoxyacetic acid
[no description available]		1.9510monocarboxylic acid
paraquat
Paraquat: A poisonous dipyridilium compound used as contact herbicide. Contact with concentrated solutions causes irritation of the skin, cracking and shedding of the nails, and delayed healing of cuts and wounds.. paraquat : An organic cation that consists of 4,4'-bipyridine bearing two N-methyl substituents loctated at the 1- and 1'-positions.		2.4220organic cationgeroprotector;
herbicide
tetrabutylammonium
tetrabutylammonium: lipophilic probe; RN given refers to parent cpd		2.4320quaternary ammonium ion
2-tert-butylhydroquinone
2-tert-butylhydroquinone: an anticarcinogenic and chemopreventive agent. 2-tert-butylhydroquinone : A member of the class of hydroquinones in which one of the ring hydrogens of hydroquinone is replaced by a tert-butyl group.		2.0310hydroquinonesfood antioxidant
2,6-dichlorobenzamide
[no description available]		2.0610benzamides;
dichlorobenzene		herbicide;
marine xenobiotic metabolite
diallyl trisulfide
[no description available]		2.8730organic trisulfideanti-inflammatory agent;
antilipemic drug;
antineoplastic agent;
antioxidant;
antiprotozoal drug;
apoptosis inducer;
estrogen receptor antagonist;
insecticide;
platelet aggregation inhibitor;
vasodilator agent
decachlorobiphenyl
decachlorobiphenyl: structure. decachlorobiphenyl : A polychlorobiphenyl that is biphenyl in which all of the hydrogens are replaced by chlorines.		210pentachlorobenzenes;
polychlorobiphenyl
irganox 1076
[no description available]		2.0210
decyltrimethylammonium
decyltrimethylammonium ion : A quarternary ammonium cation having one decyl and three methyl substituents around the central nitrogen.		2.4620quaternary ammonium ion
n-isopropylacrylamide
N-isopropylacrylamide: can polymerize with glycidyl acrylate to form reactive water-soluble polymer that can react with the amino groups of enzymes-proteins or other ligands		7.4110
mofebutazone
mofebutazone: RN given refers to parent cpd; structure. mofebutazone : A pyrazolidine that is phenylbutazone lacking one of the phenyl substituents. It is used for treatment of joint and muscular pain.		1.9710pyrazolidinesnon-narcotic analgesic;
non-steroidal anti-inflammatory drug
octachloronaphthalene
Perna: A genus of freshwater mussel in the family MYTILIDAE, class BIVALVIA. It is found in tropical and warm temperate coastal waters. Most species have green in their shells.		2.0310
phenethyl isothiocyanate
phenethyl isothiocyanate: a dietary liver aldehyde dehydrogenase inhibitor; promotes urinary bladder carcinoma. phenethyl isothiocyanate : An isothiocyanate having a phenethyl group attached to the nitrogen. It is a naturally occurring compound found in some cruciferous vegetables (e.g. watercress) and is known to possess anticancer properties.		4.9321isothiocyanateantineoplastic agent;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
metabolite
trifluoroiodomethane
[no description available]		2.1110
fluorescein
Fluorescein: A phthalic indicator dye that appears yellow-green in normal tear film and bright green in a more alkaline medium such as the aqueous humor.. fluorescein (lactone form) : A xanthene dye that is highly fluorescent, detectable even when present in minute quantities. Used forensically to detect traces of blood, in analytical chemistry as an indicator in silver nitrate titrations and in microscopy.		2.73302-benzofurans;
gamma-lactone;
organic heteropentacyclic compound;
oxaspiro compound;
polyphenol;
xanthene dye		fluorescent dye;
radioopaque medium
nile blue
Nile Blue: RN given refers to chloride; structure. nile blue A : An organic chloride salt having 5-amino-9-(diethylamino)benzo[a]phenoxazin-7-ium as the couterion. fluorescent dye which is also a potent photosensitiser for photodynamic therapy.		7.0210
thioflavin t
thioflavin T: RN given refers to chloride; structure. thioflavine T : An organic chloride salt having 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium as the counterion. It is widely used to visualise and quantify the presence of amyloids, both in vitro and in vivo.		2.110organic chloride saltfluorochrome;
geroprotector;
histological dye
12-methylbenzanthracene
[no description available]		2.0410
fucose
Fucose: A six-member ring deoxysugar with the chemical formula C6H12O5. It lacks a hydroxyl group on the carbon at position 6 of the molecule.. L-fucopyranose : The pyranose form of L-fucose.. fucose : Any deoxygalactose that is deoxygenated at the 6-position.		2.7530fucopyranose;
L-fucose		Escherichia coli metabolite;
mouse metabolite
benzophenoneidum
Benzophenoneidum: An aniline dye used as a disinfectant and an antiseptic agent. It is weakly fluorescing and binds specifically to certain proteins.. auramine O : A hydrochloride obtained by combining 4,4'-carbonimidoylbis(N,N-dimethylaniline) with one molar equivalent of hydrogen chloride. A fluorescent stain for demonstrating acid fast organisms in a method similar to the Ziehl Neelsen. It also can be used to make a fluorescent Schiff reagent.		1.9910hydrochloridefluorochrome;
histological dye
gamma-glycidoxypropyltrimethoxysilane
3-glycidyloxypropyltrimethoxysilane: used to immobilize carbonic anhydrase into mesoporous supports; structure in first source		2.0210
3-(trimethoxysilyl)propyl methacrylate
3-(trimethoxysilyl)propyl methacrylate: structure in first source		2.1110
2-methylphenanthrene
[no description available]		2.0410
7-methylbenzanthracene
[no description available]		2.0410
sulfur hexafluoride
Sulfur Hexafluoride: Sulfur hexafluoride. An inert gas used mainly as a test gas in respiratory physiology. Other uses include its injection in vitreoretinal surgery to restore the vitreous chamber and as a tracer in monitoring the dispersion and deposition of air pollutants.. sulfur hexafluoride : A sulfur coordination entity consisting of six fluorine atoms attached to a central sulfur atom. It is the most potent greenhouse gas currently known, with a global warming potential of 23,900 times that of CO2 over a 100 year period (SF6 has an estimated lifetime in the atmosphere of between 800 and 3,000 years).		2.0410sulfur coordination entitygreenhouse gas;
NMR chemical shift reference compound;
ultrasound contrast agent
7,12-dihydroxymethylbenz(a)anthracene
7,12-dihydroxymethylbenz(a)anthracene: structure given in first source		210
uridine diphosphate glucuronic acid
Uridine Diphosphate Glucuronic Acid: A nucleoside diphosphate sugar which serves as a source of glucuronic acid for polysaccharide biosynthesis. It may also be epimerized to UDP iduronic acid, which donates iduronic acid to polysaccharides. In animals, UDP glucuronic acid is used for formation of many glucosiduronides with various aglycones.. UDP-alpha-D-glucuronic acid : A UDP-sugar having alpha-D-glucuronic acid as the sugar component.		2.8740UDP-D-glucuronic acidEscherichia coli metabolite;
human metabolite;
mouse metabolite
octogen
octogen: an explosive compound, contaminant in waste water; structure given in third source. octogen : A tetrazocane that is 1,3,5,7-tetrazocane in which the hydrogen atom attached to each of the nitrogens is replaced by a nitro group.		2.0210N-nitro compound;
tetrazocane		explosive
acetophenazine
acetophenazine: major descriptor (73-85); minor descriptor (64-72); on-line search PHENOTHIAZINES (64-85); Index Medicus search PHENOTHIAZINES (64-72); ACETOPHENAZINE (73-85); RN given refers to parent cpd. acetophenazine : A member of the class of phenothiazines that is 10H-phenothiazine substituted by a 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl group at the nitogen atom and an acetyl group at position 2.		1.9610N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
phenothiazines		phenothiazine antipsychotic drug
n-octadecyl mercaptan
n-octadecyl mercaptan: structure given in first source		2.4620
toliprolol
toliprolol: was MH 1975-92 (see under PROPANOLAMINES 1981-90, was DOBEROL see under PROPANOLAMINES 1975-80); KOE 592 was see TOLIPROLOL 1975-92; use PROPANOLAMINES to search TOLIPROLOL 1975-92; beta adrenergic blockader with some stimulant action; it has been proposed for angina pectoris		2.3920aromatic ether
thymine glycol
thymine glycol: forms photodimers (thymine dimers) under UV; RN given refers to cpd without isomeric designation		1.9710hydroxypyrimidine
trichloroepoxypropane
Trichloroepoxypropane: A potent epoxide hydrase and aryl hydrocarbon hydroxylase inhibitor. It enhances the tumor-initiating ability of certain carcinogens.		210
dicloxacillin
Dicloxacillin: One of the PENICILLINS which is resistant to PENICILLINASE.. dicloxacillin : A penicillin that is 6-aminopenicillanic acid in which one of the amino hydrogens is replaced by a 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]formyl group.		2.0410dichlorobenzene;
penicillin		antibacterial drug
trimethylolpropane trimethacrylate
trimethylolpropane trimethacrylate: acrylate derivative found in ultraviolet curing inks; structure in 1st source		2.1310carbonyl compound
fluorescein-5-isothiocyanate
Fluorescein-5-isothiocyanate: Fluorescent probe capable of being conjugated to tissue and proteins. It is used as a label in fluorescent antibody staining procedures as well as protein- and amino acid-binding techniques.. fluorescein 5-isothiocyanate : The 5-isomer of fluorescein isothiocyanate. Acts as a fluorescent probe capable of being conjugated to tissue and proteins; used as a label in fluorescent antibody staining procedures as well as protein- and amino acid-binding techniques.		2.4420fluorescein isothiocyanate
sabinene
sabinene: RN given refers to cpd without isomeric designation. sabinene : A thujene that is a bicyclic monoterpene isolated from the essential oils of various plant species.		2.0810thujeneplant metabolite
mannose
mannopyranose : The pyranose form of mannose.		2.0510D-aldohexose;
D-mannose;
mannopyranose		metabolite
dithiothreitol
1,4-dimercaptobutane-2,3-diol : A glycol that is butane-2,3-diol in which a hydrogen from each of the methyl groups is replaced by a thiol group.. 1,4-dithiothreitol : The threo-diastereomer of 1,4-dimercaptobutane-2,3-diol.		2.02101,4-dimercaptobutane-2,3-diol;
butanediols;
dithiol;
glycol;
thiol		chelator;
human metabolite;
reducing agent
zinc carbonate
[no description available]		2.0610organooxygen compound
cyclazocine
Cyclazocine: An analgesic with mixed narcotic agonist-antagonist properties.		2.0610
phenoxyacetic acid
phenoxyacetic acid : A monocarboxylic acid that is the O-phenyl derivative of glycolic acid. A metabolite of 2-phenoxyethanol, it is used in the manufacture of pharmaceuticals, pesticides, fungicides and dyes.		1.9510aromatic ether;
monocarboxylic acid		allergen;
Aspergillus metabolite;
human xenobiotic metabolite;
plant growth retardant
5-methylchrysene
5-methylchrysene: methylchrysenes in tobacco smoke are suspected to contribute to tumorigenicity of this inhalant; RN given refers to unlabeled cpd; structure		2.0410carbopolycyclic compound
5,6-dimethylchrysene
5,6-dimethylchrysene: structure given in first source		2.0410
7-ethylbenz(a)anthracene
[no description available]		2.0410
sulfamethomidine
sulfamethomidine: structure given in first source		2.0510organic molecular entity
streptomycin
[no description available]		2.6930antibiotic antifungal drug;
antibiotic fungicide;
streptomycins		antibacterial drug;
antifungal agrochemical;
antimicrobial agent;
antimicrobial drug;
bacterial metabolite;
protein synthesis inhibitor
carbonates
Carbonates: Salts or ions of the theoretical carbonic acid, containing the radical CO2(3-). Carbonates are readily decomposed by acids. The carbonates of the alkali metals are water-soluble; all others are insoluble. (From Grant & Hackh's Chemical Dictionary, 5th ed). carbonates : Organooxygen compounds that are salts or esters of carbonic acid, H2CO3.		3.3770carbon oxoanion
n-methylacetamide-oxotremorine m
N-methylacetamide-oxotremorine M: RN given refers to iodide; structure given in first source		2.3320
1-methylquinolinium
1-methylquinolinium: RN given refers to parent cpd		7.0810
azatadine
azatadine: indulian (UD 21;71k) is dimaleate; do not confuse with AZACITIDINE. azatadine : A benzo[5,6]cyclohepta[1,2-b]pyridine having a 1-methylpiperidin-4-ylidene group at the 11-position.		2.0210benzocycloheptapyridine;
tertiary amine		anti-allergic agent;
H1-receptor antagonist
2-octanol
2-octanol: RN given refers to cpd without isomeric designation. octan-2-ol : An octanol carrying the hydroxy group at position 2.		2.0510octanol;
secondary alcohol		plant metabolite;
volatile oil component
dimethylnitramine
[no description available]		2.0810
quinacrine mustard
Quinacrine Mustard: Nitrogen mustard analog of quinacrine used primarily as a stain in the studies of chromosomes and chromatin. Fluoresces by reaction with nucleic acids in chromosomes.		1.9610hydrochlorideintercalator
buthionine sulfoximine
Buthionine Sulfoximine: A synthetic amino acid that depletes glutathione by irreversibly inhibiting gamma-glutamylcysteine synthetase. Inhibition of this enzyme is a critical step in glutathione biosynthesis. It has been shown to inhibit the proliferative response in human T-lymphocytes and inhibit macrophage activation. (J Biol Chem 1995;270(33):1945-7). 2-amino-4-(S-butylsulfonimidoyl)butanoic acid : A non-proteinogenic alpha-amino acid that is homocysteine in which the thiol group carries an oxo, imino and butyl groups.. S-butyl-DL-homocysteine (S,R)-sulfoximine : A sulfoximide that is the sulfoximine derivative of an analogue of DL-methionine in which the S-methyl group is replaced by S-butyl.		2.0510diastereoisomeric mixture;
homocysteines;
non-proteinogenic alpha-amino acid;
sulfoximide		EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor;
ferroptosis inducer
1-hydroxypyrene
1-hydroxypyrene: pyrene metabolite; RN given refers to parent cpd		6.1591pyrenes
1-nitropyrene
[no description available]		2.0110nitroarenecarcinogenic agent
teclozan
teclozan: structure		6.9310benzenes
dimethindene
Dimethindene: A histamine H1 antagonist. It is used in hypersensitivity reactions, in rhinitis, for pruritus, and in some common cold remedies.		2.0210indene
n-methylacridine
N-methylacridine: RN given refers to acridinium parent cpd		2.1310
limonene
Limonene: A naturally-occurring class of MONOTERPENES which occur as a clear colorless liquid at room temperature. Limonene is the major component in the oil of oranges which has many uses, including as flavor and fragrance. It is recognized as safe in food by the Food and Drug Administration (FDA).. limonene : A monoterpene that is cyclohex-1-ene substituted by a methyl group at position 1 and a prop-1-en-2-yl group at position 4 respectively.		6.1280cycloalkene;
p-menthadiene		human metabolite
olsalazine
olsalazine: cpd with 2 salicylate molecules linked together by an azo bond. olsalazine : An azobenzene that consists of two molecules of 4-aminosalicylic acid joined by an azo linkage. A prodrug for mesalazine, an anti-inflammatory drug, it is used (as the disodium salt) in the treatment of inflammatory bowel disease.		2.0210azobenzenes;
dicarboxylic acid		non-steroidal anti-inflammatory drug;
prodrug
aminopentamide
aminopentamide: RN given refers to parent cpd without isomeric designation; structure		1.9510diarylmethane
n-methylaspartate
N-Methylaspartate: An amino acid that, as the D-isomer, is the defining agonist for the NMDA receptor subtype of glutamate receptors (RECEPTORS, NMDA).. N-methyl-D-aspartic acid : An aspartic acid derivative having an N-methyl substituent and D-configuration.		210amino dicarboxylic acid;
D-alpha-amino acid;
D-aspartic acid derivative;
secondary amino compound		neurotransmitter agent
ammonium nitrate
ammonium nitrate: structure. ammonium nitrate : The ammonium salt of nitric acid.		2.2510ammonium salt;
inorganic molecular entity;
inorganic nitrate salt		explosive;
fertilizer;
oxidising agent
deterenol
[no description available]		1.9610
iridium
Iridium: A metallic element with the atomic symbol Ir, atomic number 77, and atomic weight 192.22.		8.4470cobalt group element atom;
platinum group metal atom
lanthanum
[no description available]		8.4570f-block element atom;
lanthanoid atom;
scandium group element atom
manganese
Manganese: A trace element with atomic symbol Mn, atomic number 25, and atomic weight 54.94. It is concentrated in cell mitochondria, mostly in the pituitary gland, liver, pancreas, kidney, and bone, influences the synthesis of mucopolysaccharides, stimulates hepatic synthesis of cholesterol and fatty acids, and is a cofactor in many enzymes, including arginase and alkaline phosphatase in the liver. (From AMA Drug Evaluations Annual 1992, p2035). manganese(4+) : A manganese cation that is monoatomic and has a formal charge of +4.		7.58181elemental manganese;
manganese group element atom		Escherichia coli metabolite;
micronutrient
mercury
Mercury: A silver metallic element that exists as a liquid at room temperature. It has the atomic symbol Hg (from hydrargyrum, liquid silver), atomic number 80, and atomic weight 200.59. Mercury is used in many industrial applications and its salts have been employed therapeutically as purgatives, antisyphilitics, disinfectants, and astringents. It can be absorbed through the skin and mucous membranes which leads to MERCURY POISONING. Because of its toxicity, the clinical use of mercury and mercurials is diminishing.. mercury(0) : Elemental mercury of oxidation state zero.		8.46361elemental mercury;
zinc group element atom		neurotoxin
molybdenum
Molybdenum: A metallic element with the atomic symbol Mo, atomic number 42, and atomic weight 95.95. It is an essential trace element, being a component of the enzymes xanthine oxidase, aldehyde oxidase, and nitrate reductase.		7.18161chromium group element atommicronutrient
neon
Neon: A noble gas with the atomic symbol Ne, atomic number 10, and atomic weight 20.18. It is found in the earth's crust and atmosphere as an inert, odorless gas and is used in vacuum tubes and incandescent lamps.		2.8940monoatomic neon;
noble gas atom;
p-block element atom
niobium
Niobium: A metal element atomic number 41, atomic weight 92.906, symbol Nb.		2.9640vanadium group element atom
osmium
Osmium: A very hard, gray, toxic, and nearly infusible metal element, atomic number 76, atomic weight 190.2, symbol Os.		7.4420iron group element atom;
platinum group metal atom
palladium
Palladium: A chemical element having an atomic weight of 106.4, atomic number of 46, and the symbol Pd. It is a white, ductile metal resembling platinum, and following it in abundance and importance of applications. It is used in dentistry in the form of gold, silver, and copper alloys.. palladium : Chemical element (nickel group element atom) with atomic number 46.		7.35780metal allergen;
nickel group element atom;
platinum group metal atom
platinum
Platinum: A heavy, soft, whitish metal, resembling tin, with atomic number 78, atomic weight 195.084, symbol Pt. It is used in manufacturing equipment for laboratory and industrial use. It occurs as a black powder (platinum black) and as a spongy substance (spongy platinum) and may have been known in Pliny's time as alutiae.		4.26170elemental platinum;
nickel group element atom;
platinum group metal atom
plutonium
Plutonium: A naturally radioactive element of the actinide metals series. It has the atomic symbol Pu, and atomic number 94. Plutonium is used as a nuclear fuel, to produce radioisotopes for research, in radionuclide batteries for pacemakers, and as the agent of fission in nuclear weapons.		2.3620actinoid atom;
f-block element atom
rhenium
Rhenium: A metal, atomic number 75, atomic weight 186.207, symbol Re.		3.1450manganese group element atom
rhodium
Rhodium: A hard and rare metal of the platinum group, atomic number 45, atomic weight 102.905, symbol Rh.. rhodium atom : A cobalt group element atom of atomic number 45.		3.5380cobalt group element atom
ruthenium
Ruthenium: A hard, brittle, grayish-white rare earth metal with an atomic symbol Ru, atomic number 44, and atomic weight 101.07. It is used as a catalyst and hardener for PLATINUM and PALLADIUM.		9.46200iron group element atom;
platinum group metal atom
silver
Silver: An element with the atomic symbol Ag, atomic number 47, and atomic weight 107.87. It is a soft metal that is used medically in surgical instruments, dental prostheses, and alloys. Long-continued use of silver salts can lead to a form of poisoning known as ARGYRIA.		7.08241copper group element atom;
elemental silver		Escherichia coli metabolite
tantalum
Tantalum: A rare metallic element, atomic number 73, atomic weight 180.948, symbol Ta. It is a noncorrosive and malleable metal that has been used for plates or disks to replace cranial defects, for wire sutures, and for making prosthetic devices.		2.110vanadium group element atom
titanium
Titanium: A dark-gray, metallic element of widespread distribution but occurring in small amounts with atomic number, 22, atomic weight, 47.867 and symbol, Ti; specific gravity, 4.5; used for fixation of fractures.		7.76491titanium group element atom
tungsten
Tungsten: A metallic element with the atomic symbol W, atomic number 74, and atomic weight 183.85. It is used in many manufacturing applications, including increasing the hardness, toughness, and tensile strength of steel; manufacture of filaments for incandescent light bulbs; and in contact points for automotive and electrical apparatus.		3.1250chromium group element atommicronutrient
americium
Americium: A completely man-made radioactive actinide with atomic symbol Am, and atomic number 95. Its valence can range from +3 to +6. Because of its nonmagnetic ground state, it is an excellent superconductor. It is also used in bone mineral analysis and as a radiation source for radiotherapy.		1.9710actinoid atom;
f-block element atom
argon
Argon: A noble gas with the atomic symbol Ar, atomic number 18, and atomic weight 39.948. It is used in fluorescent tubes and wherever an inert atmosphere is desired and nitrogen cannot be used.		4.13160monoatomic argon;
noble gas atom;
p-block element atom		food packaging gas;
neuroprotective agent
cadmium
Cadmium: An element with atomic symbol Cd, atomic number 48, and atomic weight 112.41. It is a metal and ingestion will lead to CADMIUM POISONING.. elemental cadmium : An element in the zinc group of the periodic table with atomic number 48, atomic mass 112, M.P. 321degreeC, and B.P. 765degreeC). An odourless, tasteless, and highly poisonous soft, ductile, lustrous metal with electropositive properties. It has eight stable isotopes: (106)Cd, (108)Cd,(110)Cd, (111)Cd, (112)Cd, (113)Cd, (114)Cd and (116)Cd, with (112)Cd and (114)Cd being the most common.		6.03360cadmium molecular entity;
zinc group element atom
cerium
Cerium: An element of the rare earth family of metals. It has the atomic symbol Ce, atomic number 58, and atomic weight 140.12. Cerium is a malleable metal used in industrial applications.		3.79110f-block element atom;
lanthanoid atom
chromium
Chromium: A trace element that plays a role in glucose metabolism. It has the atomic symbol Cr, atomic number 24, and atomic weight 52. According to the Fourth Annual Report on Carcinogens (NTP85-002,1985), chromium and some of its compounds have been listed as known carcinogens.. chromium ion : An chromium atom having a net electric charge.. chromium atom : A chromium group element atom that has atomic number 24.		4.74300chromium group element atom;
metal allergen		micronutrient
europium
Europium: An element of the rare earth family of metals. It has the atomic symbol Eu, atomic number 63, and atomic weight 152. Europium is used in the form of its salts as coatings for cathode ray tubes and in the form of its organic derivatives as shift reagents in NMR spectroscopy.		2.0610f-block element atom;
lanthanoid atom
gadolinium
Gadolinium: An element of the rare earth family of metals. It has the atomic symbol Gd, atomic number 64, and atomic weight 157.25. Its oxide is used in the control rods of some nuclear reactors.		7.7430f-block element atom;
lanthanoid atom
gold
Gold: A yellow metallic element with the atomic symbol Au, atomic number 79, and atomic weight 197. It is used in jewelry, goldplating of other metals, as currency, and in dental restoration. Many of its clinical applications, such as ANTIRHEUMATIC AGENTS, are in the form of its salts.		7.46371copper group element atom;
elemental gold
helium
Helium: A noble gas with the atomic symbol He, atomic number 2, and atomic weight 4.003. It is a colorless, odorless, tasteless gas that is not combustible and does not support combustion. It was first detected in the sun and is now obtained from natural gas. Medically it is used as a diluent for other gases, being especially useful with oxygen in the treatment of certain cases of respiratory obstruction, and as a vehicle for general anesthetics.		3.1250monoatomic helium;
noble gas atom;
s-block element atom		food packaging gas
uranium
Uranium: A radioactive element of the actinide series of metals. It has an atomic symbol U, atomic number 92, and atomic weight 238.03. U-235 is used as the fissionable fuel in nuclear weapons and as fuel in nuclear power reactors.		8.9740actinoid atom;
f-block element atom;
monoatomic uranium
vanadium
Vanadium: A metallic element with the atomic symbol V, atomic number 23, and atomic weight 50.94. It is used in the manufacture of vanadium steel. Prolonged exposure can lead to chronic intoxication caused by absorption usually via the lungs.		8.6290elemental vanadium;
vanadium group element atom		micronutrient
xenon
Xenon: A noble gas with the atomic symbol Xe, atomic number 54, and atomic weight 131.30. It is found in the earth's atmosphere and has been used as an anesthetic.		8.2660monoatomic xenon;
noble gas atom;
p-block element atom
ytterbium
Ytterbium: An element of the rare earth family of metals. It has the atomic symbol Yb, atomic number 70, and atomic weight 173. Ytterbium has been used in lasers and as a portable x-ray source.		2.0410f-block element atom;
lanthanoid atom
yttrium
Yttrium: An element of the rare earth family of metals. It has the atomic symbol Y, atomic number 39, and atomic weight 88.91. In conjunction with other rare earths, yttrium is used as a phosphor in television receivers and is a component of the yttrium-aluminum garnet (YAG) lasers.		2.9540d-block element atom;
rare earth metal atom;
scandium group element atom
zirconium
Zirconium: A rather rare metallic element with atomic number 40, atomic weight 91.224, and symbol Zr.		3.86110titanium group element atom
aluminum chloride
Aluminum Chloride: A compound with the chemical formula AlCl3; the anhydrous salt is used as a catalyst in organic chemical synthesis, and hydrated salts are used topically as antiperspirants, and for the management of HYPERHYDROSIS.		2.8740aluminium coordination entityLewis acid
cupric chloride
cupric chloride: RN given refers to unlabeled parent cpd. copper(II) chloride : An inorganic chloride of copper in which the metal is in the +2 oxidation state.		2.0110copper molecular entity;
inorganic chloride		EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor
mercuric chloride
Mercuric Chloride: Mercury chloride (HgCl2). A highly toxic compound that volatizes slightly at ordinary temperature and appreciably at 100 degrees C. It is corrosive to mucous membranes and used as a topical antiseptic and disinfectant.. mercury dichloride : A mercury coordination entity made up of linear triatomic molecules in which a mercury atom is bonded to two chlorines. Water-soluble, it is highly toxic. Once used in a wide variety of applications, including preserving wood and anatomical specimens, embalming and disinfecting, as an intensifier in photography, as a mordant for rabbit and beaver furs, and freeing gold from lead, its use has markedly declined as less toxic alternatives have been developed.		2.7130mercury coordination entitysensitiser
galactosamine
2-amino-2-deoxy-D-galactopyranose : The pyranose form of D-galactosamine.. D-galactosamine : The D-stereoisomer of galactosamine.		4.811D-galactosamine;
primary amino compound		toxin
phosphoric acid, trisodium salt
[no description available]		2.0610sodium phosphate
sodium nitrate
sodium nitrate : The inorganic nitrate salt of sodium.		2.0310inorganic nitrate salt;
inorganic sodium salt		fertilizer;
NMR chemical shift reference compound
palladium chloride
palladium chloride: RN given refers to parent cpd; structure. palladium(II) chloride : A palladium coordination entity consisting of palladium(II) bound to two chlorine atoms.		2.0410palladium coordination entitycatalyst
cesium chloride
cesium chloride: RN given refers to unlabeled cpd. caesium chloride : The inorganic chloride salt of caesium; each caesium ion is coordinated by eight chlorine ions.		2.4720inorganic caesium salt;
inorganic chloride		phase-transfer catalyst;
vasoconstrictor agent
hypochlorous acid
Hypochlorous Acid: An oxyacid of chlorine (HClO) containing monovalent chlorine that acts as an oxidizing or reducing agent.. hypochlorous acid : A chlorine oxoacid with formula HOCl; a weak, unstable acid, it is the active form of chlorine in water.		2.7930chlorine oxoacid;
reactive oxygen species		EC 2.5.1.18 (glutathione transferase) inhibitor;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
human metabolite
camptothecin
NSC 100880: carboxylate (opened lactone) form of camptothecin; RN refers to (S)-isomer; structure given in first source		2.0310delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite
ferric chloride
ferric chloride: RN given refers to cpd with MF of Fe-Cl3; used to induce experimental arterial thrombosis to evaluate antithrombotic agents		2.4820iron coordination entityastringent;
Lewis acid
nickel chloride
nickel chloride: RN given refers to cpd with MF of Ni-Cl2. nickel dichloride : A compound of nickel and chloride in which the ratio of nickel (in the +2 oxidation state) to chloride is 1:2.		2.0110nickel coordination entitycalcium channel blocker;
hapten
ferrous sulfate
ferrous sulfate: Ferro-Gradumet is ferrous sulfate in controlled release form; RN given refers to Fe(+2)[1:1] salt. iron(2+) sulfate (anhydrous) : A compound of iron and sulfate in which the ratio of iron(2+) to sulfate ions is 1:1. Various hydrates occur naturally - most commonly the heptahydrate, which loses water to form the tetrahydrate at 57degreeC and the monohydrate at 65degreeC.		2.4520iron molecular entity;
metal sulfate		reducing agent
phosphine
phosphane : The simplest phosphine, consisting of a single phosphorus atom with three hydrogens attached.. phosphine : Phosphane (PH3) and compounds derived from it by substituting one, two or three hydrogen atoms by hydrocarbyl groups: RPH2, R2PH, R3P (R =/= H) are called primary, secondary and tertiary phosphines, respectively. A specific phosphine is preferably named as a substituted phosphane.		2.7430mononuclear parent hydride;
phosphanes;
phosphine		carcinogenic agent;
fumigant insecticide
bromine
Bromine: A halogen with the atomic symbol Br, atomic number 35, and atomic weight 79.904. It is a volatile reddish-brown liquid that gives off suffocating vapors, is corrosive to the skin, and may cause severe gastroenteritis if ingested.		4.32200diatomic bromine
zinc sulfate
Zinc Sulfate: A compound given in the treatment of conditions associated with zinc deficiency such as acrodermatitis enteropathica. Externally, zinc sulfate is used as an astringent in lotions and eye drops. (Reynolds JEF(Ed): Martindale: The Extra Pharmacopoeia (electronic version). Micromedex, Inc, Englewood, CO, 1995). zinc sulfate : A metal sulfate compound having zinc(2+) as the counterion.		5.3131metal sulfate;
zinc molecular entity		fertilizer
sodium sulfate
[no description available]		2.0410inorganic sodium salt
tricalcium phosphate
tricalcium phosphate: a form of tricalcium phosphate used as bioceramic bone replacement material; see also records for alpha-tricalcium phosphate, beta-tricalcium phosphate, calcium phosphate; apatitic tricalcium phosphate Ca9(HPO4)(PO4)5(OH) is the calcium orthophosphate leading to beta tricalcium phosphate Ca3(PO4)2 (b-TCP). calcium phosphate : A calcium salt composed of calcium and phosphate/diphosphate ions; present in milk and used for the mineralisation of calcified tissues.		4.811calcium phosphate
chromates
Chromates: Salts of chromic acid containing the CrO(2-)4 radical.. chromate(2-) : A chromium oxoanion resulting from the removal of two protons from chromic acid.		3.2260chromium oxoanion;
divalent inorganic anion		oxidising agent
silver nitrate
Silver Nitrate: A silver salt with powerful germicidal activity. It has been used topically to prevent OPHTHALMIA NEONATORUM.		2.6930inorganic nitrate salt;
silver salt		astringent
sodium thiosulfate
sodium thiosulfate: do not confuse synonym sodium hyposulfite with sodium hyposulfite, synonym for di-Na salt of dithionous acid. sodium thiosulfate : An inorganic sodium salt composed of sodium and thiosulfate ions in a 2:1 ratio.		6.9310inorganic sodium saltantidote to cyanide poisoning;
antifungal drug;
nephroprotective agent
sodium chromate(vi)
sodium chromate(VI): RN given refers to cpd with (MF) CR-H2-O4.Na. sodium chromate : An inorganic sodium salt consisting of sodium and chromate ions in a 2:1 ratio.		210inorganic sodium saltcarcinogenic agent;
diagnostic agent;
oxidising agent;
poison
calcium sulfate
Calcium Sulfate: A calcium salt that is used for a variety of purposes including: building materials, as a desiccant, in dentistry as an impression material, cast, or die, and in medicine for immobilizing casts and as a tablet excipient. It exists in various forms and states of hydration. Plaster of Paris is a mixture of powdered and heat-treated gypsum.		2.3520calcium salt;
inorganic calcium salt
potassium dichromate
Potassium Dichromate: Chromic acid (H2Cr2O7), dipotassium salt. A compound having bright orange-red crystals and used in dyeing, staining, tanning leather, as bleach, oxidizer, depolarizer for dry cells, etc. Medically it has been used externally as an astringent, antiseptic, and caustic. When taken internally, it is a corrosive poison.. potassium dichromate : A potassium salt that is the dipotassium salt of dichromic acid.		2.7430potassium saltallergen;
oxidising agent;
sensitiser
deuterium
Deuterium: The stable isotope of hydrogen. It has one neutron and one proton in the nucleus.		10.14460dihydrogen
fluorine
Fluorine: A nonmetallic, diatomic gas that is a trace element and member of the halogen family. It is used in dentistry as fluoride (FLUORIDES) to prevent dental caries.		4.57250diatomic fluorine;
gas molecular entity		NMR chemical shift reference compound
chlorine
Chlorine: An element with atomic symbol Cl, atomic number 17, and atomic weight 35, and member of the halogen family.		6.12410diatomic chlorine;
gas molecular entity		bleaching agent
nitrous acid
Nitrous Acid: Nitrous acid (HNO2). A weak acid that exists only in solution. It can form water-soluble nitrites and stable esters. (From Merck Index, 11th ed)		7.4220nitrogen oxoacid
bromine trifluoride
bromine trifluoride: a nucleophilic fluorinating agent		2.1510
potassium chromate(vi)
potassium chromate(VI): RN given refers to cpd with MF of K2-CrH2O4. potassium chromate : A potassium salt consisting of potassium and chromate ions in a 2:1 ratio.		1.9810potassium saltcarcinogenic agent;
oxidising agent
deuterium oxide
Deuterium Oxide: The isotopic compound of hydrogen of mass 2 (deuterium) with oxygen. (From Grant & Hackh's Chemical Dictionary, 5th ed) It is used to study mechanisms and rates of chemical or nuclear reactions, as well as biological processes.		2.7230deuterated compound;
water		NMR solvent
fluorosulfonic acid
perfluorosulfonic acid: sulfonated tetrafluoroethylene-based fluoropolymer–copolymer		2.0510sulfur oxoacidNMR solvent
molybdate ion
molybdate : A divalent inorganic anion obtained by removal of both protons from molybdic acid		1.9910divalent inorganic anion;
molybdenum oxoanion		Escherichia coli metabolite
desmedipham
desmedipham: structure. desmedipham : A carbamate ester that is phenylcarbamic acid in which the hydrogen of the hydroxy group has been replaced by a 3-[(ethoxycarbonyl)amino]phenyl group. It is an agrochemical used as a herbicide.		210carbamate esteragrochemical;
environmental contaminant;
herbicide;
xenobiotic
galactose
aldohexose : A hexose with a (potential) aldehyde group at one end.		2.3720
poloxalene
Poloxalene: A copolymer of polyethylene and polypropylene ether glycol. It is a non-ionic polyol surface-active agent used medically as a fecal softener and in cattle for prevention of bloat.. pluronic : A triblock copolymer composed of a central hydrophobic chain of poly(propylene oxide) flanked by two hydrophilic chains of poly(ethylene oxide).		2.4320epoxide
phosphoryl chloride
phosphoryl chloride: structure		2.0510phosphorus coordination entity
silicon tetrachloride
[no description available]		2.0610
ozone
Ozone: The unstable triatomic form of oxygen, O3. It is a powerful oxidant that is produced for various chemical and industrial uses. Its production is also catalyzed in the ATMOSPHERE by ULTRAVIOLET RAY irradiation of oxygen or other ozone precursors such as VOLATILE ORGANIC COMPOUNDS and NITROGEN OXIDES. About 90% of the ozone in the atmosphere exists in the stratosphere (STRATOSPHERIC OZONE).. ozone : An elemental molecule with formula O3. An explosive, pale blue gas (b.p. -112degreeC) that has a characteristic, pungent odour, it is continuously produced in the upper atmosphere by the action of solar ultraviolet radiation on atmospheric oxygen. It is an antimicrobial agent used in the production of bottled water, as well as in the treatment of meat, poultry and other foodstuffs.		8.08610elemental molecule;
gas molecular entity;
reactive oxygen species;
triatomic oxygen		antiseptic drug;
disinfectant;
electrophilic reagent;
greenhouse gas;
mutagen;
oxidising agent;
tracer
hydroiodic acid
hydrogen iodide : A diatomic molecule containing covalently bonded hydrogen and iodine atoms.		1.9310gas molecular entity;
hydrogen halide;
mononuclear parent hydride		mouse metabolite
radon
Radon: A naturally radioactive element with atomic symbol Rn, and atomic number 86. It is a member of the noble gas family found in soil, and is released during the decay of RADIUM.. radon(0) : A monoatomic radon that has an oxidation state of zero.		10.2260monoatomic radon;
noble gas atom;
p-block element atom
chlorine dioxide
chlorine dioxide: equal or superior to chlorine when used as wastewater disinfectant		2.9130chlorine dioxide
lead nitrate
lead nitrate: RN given refers to unspecified lead nitrate		2.9140inorganic nitrate salt;
lead coordination entity
cadmium chloride
Cadmium Chloride: A cadmium halide in the form of colorless crystals, soluble in water, methanol, and ethanol. It is used in photography, in dyeing, and calico printing, and as a solution to precipitate sulfides. (McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed). cadmium dichloride : A cadmium coordination entity in which cadmium(2+) and Cl(-) ions are present in the ratio 2:1. Although considered to be ionic, it has considerable covalent character to its bonding.		2.3820cadmium coordination entity
calcium nitrate
calcium nitrate: an amylopsin activator. calcium nitrate : Inorganic nitrate salt of calcium.		7.0110calcium salt;
inorganic nitrate salt		fertilizer
colterol
colterol: RN given refers to parent cpd without isomeric designation; structure. colterol : A member of the class of ethanolamines that is catechol in which the hydrogen at position 4 is replaced by a 2-(tert-butylamino)-1-hydroxyethyl group.		1.9610catechols;
ethanolamines;
secondary alcohol;
secondary amino compound;
triol		anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent
cadmium nitrate
cadmium nitrate: RN given refers to parent cpd. cadmium nitrate : An inorganic nitrate salt having Cd(2+) as the counterion.		210cadmium salt;
inorganic nitrate salt		carcinogenic agent;
genotoxin;
hepatotoxic agent
magnesium chlorate
magnesium chlorate: RN given refers to parent cpd		2.0210
trolamine salicylate
Arthritis: Acute or chronic inflammation of JOINTS.		2.3820
ferric nitrate
ferric nitrate: RN given refers to Fe(+3) salt		2.0110
1,1,2,3-tetrachloropropene
1,1,2,3-tetrachloropropene: 1st & 5th sources for unspecified isomer; RN given refers to cpd with locants as specified; structure in third source		3.3611
rhamnose
[no description available]		1.9510L-rhamnose
sodium bichromate
sodium bichromate: RN given refers to di-Na salt		1.9810inorganic sodium salt
carbendazim
carbendazim: carcinogen when combined with sodium nitrite; principle metabolite of thiophanate methyl & benomyl; structure. carbendazim : A member of the class of benzimidazoles that is 2-aminobenzimidazole in which the primary amino group is substituted by a methoxycarbonyl group. A fungicide, carbendazim controls Ascomycetes, Fungi Imperfecti, and Basidiomycetes on a wide variety of crops, including bananas, cereals, cotton, fruits, grapes, mushrooms, ornamentals, peanuts, sugarbeet, soybeans, tobacco, and vegetables.		2.4120benzimidazole fungicide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester		antifungal agrochemical;
antinematodal drug;
metabolite;
microtubule-destabilising agent
chrysotile
Asbestos, Serpentine: A type of asbestos that occurs in nature as the dihydrate of magnesium silicate. It exists in two forms: antigorite, a plated variety, and chrysotile, a fibrous variety. The latter makes up 95% of all asbestos products. (From Merck Index, 11th ed, p.893)		1.9610
ammonium chloride
Ammonium Chloride: An acidifying agent that has expectorant and diuretic effects. Also used in etching and batteries and as a flux in electroplating.. ammonium chloride : An inorganic chloride having ammonium as the counterion.		2.5220ammonium salt;
inorganic chloride		ferroptosis inhibitor
ethionine
L-ethionine : An S-ethylhomocysteine that has S-configuration at the chiral centre.		3.1960S-ethylhomocysteineantimetabolite;
carcinogenic agent
titanium dioxide
titanium dioxide: used medically as protectant against externally caused irritation & sunlight; high concentrations of dust may cause irritation to respiratory tract; RN given refers to titanium oxide (TiO2); structure. titanium dioxide : A titanium oxide with the formula TiO2. A naturally occurring oxide sourced from ilmenite, rutile and anatase, it has a wide range of applications.		7.45361titanium oxidesfood colouring
hydrocortisone-17-butyrate
cortisol 17-butyrate : Cortisol esterified with butyric acid at the 17-hydroxy group.		2.0510butyrate ester;
cortisol ester;
primary alpha-hydroxy ketone		dermatologic drug;
drug allergen
menthone
menthone : The trans-stereoisomer of p-menthan-3-one.. (-)-menthone : A menthone that is cyclohexanone substituted by a methyl and an isopropyl group at positions 5 and 2 respectively (the 2S,5R-stereoisomer).		210menthone
salen
disalicylaldehyde ethylenediamine: reagents for determination of iron		2.0310
tiletamine hydrochloride
Cyclohexanones: Cyclohexane ring substituted by one or more ketones in any position.. cyclohexanones : Any alicyclic ketone based on a cyclohexane skeleton and its substituted derivatives thereof.		5.0691
urobilinogen
Urobilinogen: A colorless compound formed in the intestines by the reduction of bilirubin. Some is excreted in the feces where it is oxidized to urobilin. Some is reabsorbed and re-excreted in the bile as bilirubin. At times, it is re-excreted in the urine, where it may be later oxidized to urobilin.. urobilinogen : A member of the class of bilanes that is a colourless product formed in the intestine by the reduction of bilirubin.		2.3520bilaneshuman metabolite
4-n-Pentylphenol
[no description available]		2.0510phenols
(2-methoxyethoxy)acetic acid
(2-methoxyethoxy)acetic acid: a urinary biomarker; metabolite of 2-(2-methoxyethoxy)ethanol		2.0710
tetradecanoylphorbol acetate
Tetradecanoylphorbol Acetate: A phorbol ester found in CROTON OIL with very effective tumor promoting activity. It stimulates the synthesis of both DNA and RNA.. phorbol ester : Esters of phorbol, originally found in croton oil (from Croton tiglium, of the family Euphorbiaceae). A number of phorbol esters possess activity as tumour promoters and activate the mechanisms associated with cell growth. Some of these are used in experiments as activators of protein kinase C.. phorbol 13-acetate 12-myristate : A phorbol ester that is phorbol in which the hydroxy groups at the cyclopropane ring juction (position 13) and the adjacent carbon (position 12) have been converted into the corresponding acetate and myristate esters. It is a major active constituent of the seed oil of Croton tiglium. It has been used as a tumour promoting agent for skin carcinogenesis in rodents and is associated with increased cell proliferation of malignant cells. However its function is controversial since a decrease in cell proliferation has also been observed in several cancer cell types.		4.4770acetate ester;
diester;
phorbol ester;
tertiary alpha-hydroxy ketone;
tetradecanoate ester		antineoplastic agent;
apoptosis inducer;
carcinogenic agent;
mitogen;
plant metabolite;
protein kinase C agonist;
reactive oxygen species generator
gold tetrachloride, acid
gold tetrachloride, acid: used in root canal therapy; RN given refers to (SP-4-1)		2.1310
fluorides
[no description available]		3.5890halide anion;
monoatomic fluorine
stilbene oxide
stilbene oxide: inducer of epoxide hydratase; RN given refers to cpd without isomeric designation		2.0110epoxide
benomyl
[no description available]		6.9510aromatic amide;
benzimidazole fungicide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester		acaricide;
anthelminthic drug;
antifungal agrochemical;
microtubule-destabilising agent;
tubulin modulator
stannic oxide
tin dioxide : A tin oxide compound consisting of tin(IV) covalently bound to two oxygen atoms.		2.0710tin oxide
chromium
chromium hexavalent ion: a human respiratory carcinogen		2.7830chromium cation;
monoatomic hexacation
molybdenum dioxide
[no description available]		2.0210
iodine
[no description available]		3.98140halide anion;
monoatomic iodine		human metabolite
osmium tetroxide
Osmium Tetroxide: (T-4)-Osmium oxide (OsO4). A highly toxic and volatile oxide of osmium used in industry as an oxidizing agent. It is also used as a histological fixative and stain and as a synovectomy agent in arthritic joints. Its vapor can cause eye, skin, and lung damage.. osmium tetroxide : An osmium coordination entity consisting of four oxygen atoms bound to a central osmium atom via covalent double bonds.		1.9710osmium coordination entityfixative;
histological dye;
oxidising agent;
poison
daunorubicin
Daunorubicin: A very toxic anthracycline aminoglycoside antineoplastic isolated from Streptomyces peucetius and others, used in treatment of LEUKEMIA and other NEOPLASMS.. anthracycline : Anthracyclines are polyketides that have a tetrahydronaphthacenedione ring structure attached by a glycosidic linkage to the amino sugar daunosamine.. daunorubicin : A natural product found in Actinomadura roseola.		1.9910aminoglycoside antibiotic;
anthracycline;
p-quinones;
tetracenequinones		antineoplastic agent;
bacterial metabolite
10-undecynoic acid
10-undecynoic acid: inhibitor of lauric acid monooxygenase; RN given refers to parent cpd		2.0310medium-chain fatty acid
fenamiphos
[no description available]		1.9710organophosphate insecticide;
organophosphate nematicide;
phosphoramidate ester		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
1,2-diphenylhydrazine
[no description available]		1.9310
phenyl acetate
phenyl acetate: The ester formed between phenol and acetic acid. Don't confuse with phenylacetic acid derivatives listed under PHENYLACETATES.. phenyl acetate : An acetate ester obtained by the formal condensation of phenol with acetic acid.		5.87990benzenes;
phenyl acetates
dodecylbenzene
[no description available]		2.0210
cetylpyridinium chloride anhydrous
tserigel: according to first source contains polyvinylbutyral & cetylpyridinium chloride; UD only lists cetylpyridinium chloride as constituent. cetylpyridinium chloride : A pyridinium salt that has N-hexadecylpyridinium as the cation and chloride as the anion. It has antiseptic properties and is used in solutions or lozenges for the treatment of minor infections of the mouth and throat.		2.3620chloride salt;
organic chloride salt		antiseptic drug;
surfactant
4-ethylphenol
4-ethylphenol: RN given refers to parent cpd. 4-ethylphenol : A member of the class of phenols carrying an ethyl substituent at position 4.		2.0510phenolsfungal xenobiotic metabolite
methylformamide
N-methylformamide : A member of the class of formamides having a N-methyl substituent.		7.0110formamides
isopentyl alcohol
isopentyl alcohol: RN given refers to unlabeled parent cpd. isoamylol : An primary alcohol that is butan-1-ol in which a hydrogen at position 3 has been replaced by a methyl group.		2.0510alkyl alcohol;
primary alcohol;
volatile organic compound		antifungal agent;
Saccharomyces cerevisiae metabolite;
xenobiotic metabolite
acetylacetone
acetylacetone : A beta-diketone that is pentane in which the hydrogens at positions 2 and 4 are replaced by oxo groups.		2.4420beta-diketone
paraldehyde
Paraldehyde: A hypnotic and sedative with anticonvulsant effects. However, because of the hazards associated with its administration, its tendency to react with plastic, and the risks associated with its deterioration, it has largely been superseded by other agents. It is still occasionally used to control status epilepticus resistant to conventional treatment. (From Martindale, The Extra Pharmacopoeia, 30th ed, p608-9). paraldehyde : A trioxane that is 1,3,5-trioxane substituted by methyl groups at positions 2, 4 and 6.		1.9510trioxanesedative
butyl acetate
butyl acetate: structure. butyl acetate : The acetate ester of butanol.		3.7730acetate estermetabolite
1,4-dioxane
1,4-dioxane: dehydrating agent; polar solvent miscible both with water & most organic solvents. dioxane : Any member of the class of dioxanes that is a cyclohexane in which two carbon atoms are replaced by oxygen atoms.. 1,4-dioxane : A dioxane with oxygen atoms at positions 1 and 4.		4.02140dioxane;
volatile organic compound		carcinogenic agent;
metabolite;
NMR chemical shift reference compound;
non-polar solvent
isoamyl acetate
isoamyl acetate: structure in Merck, 9th ed, #4958. isoamyl acetate : The acetate ester of isoamylol.		2.420acetate estermetabolite;
Saccharomyces cerevisiae metabolite
carbamide peroxide
Carbamide Peroxide: A urea peroxide compound that is commonly used in tooth whitening agents; topical anti-infective agents, and earwax remover.. urea hydrogen peroxide : A mixture obtained by combining equimolar amounts of hydrogen peroxide and urea.		2.0510mixturedisinfectant;
oxidising agent;
reagent
triamcinolone
Triamcinolone: A glucocorticoid given, as the free alcohol or in esterified form, orally, intramuscularly, by local injection, by inhalation, or applied topically in the management of various disorders in which corticosteroids are indicated. (From Martindale, The Extra Pharmacopoeia, 30th ed, p739). triamcinolone : A C21-steroid hormone that is 1,4-pregnadiene-3,20-dione carrying four hydroxy substituents at positions 11beta, 16alpha, 17alpha and 21 as well as a fluoro substituent at position 9. Used in the form of its 16,17-acetonide to treat various skin infections.		2.051011beta-hydroxy steroid;
16alpha-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid hormone;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-allergic agent;
anti-inflammatory drug
tris(2,3-dibromopropyl)phosphate
tris(2,3-dibromopropyl)phosphate: flame retardant		7.3520trialkyl phosphate
tributyl phosphate
tributyl phosphate: a detergent. tributyl phosphate : A trialkyl phosphate that is the tributyl ester of phosphoric acid.		210trialkyl phosphate
methacrylonitrile
methacrylonitrile: lacrimator; preparation of polymers & homopolymers; structure		210
chloroprene
Chloroprene: Toxic, possibly carcinogenic, monomer of neoprene, a synthetic rubber; causes damage to skin, lungs, CNS, kidneys, liver, blood cells and fetuses. Synonym: 2-chlorobutadiene.		3.4980chloroolefin
tetrachloroethylene
Tetrachloroethylene: A chlorinated hydrocarbon used as an industrial solvent and cooling liquid in electrical transformers. It is a potential carcinogen.		7.93420chlorocarbon;
chloroethenes		nephrotoxic agent
dimethylacetamide
hallucinogen : Drugs capable of inducing illusions, hallucinations, delusions, paranoid ideations and other alterations of mood and thinking.. N,N-dimethylacetamide : A member of the class of acetamides that is acetamide in which the hydrogens attached to the N atom have been replaced by two methyl groups respectively. Metabolite observed in cancer metabolism.		2.9240acetamides;
monocarboxylic acid amide		human metabolite
ursodeoxycholic acid
Ursodeoxycholic Acid: An epimer of chenodeoxycholic acid. It is a mammalian bile acid found first in the bear and is apparently either a precursor or a product of chenodeoxycholate. Its administration changes the composition of bile and may dissolve gallstones. It is used as a cholagogue and choleretic.. ursodeoxycholic acid : A bile acid found in the bile of bears (Ursidae) as a conjugate with taurine. Used therapeutically, it prevents the synthesis and absorption of cholesterol and can lead to the dissolution of gallstones.. ursodeoxycholate : A bile acid anion that is the conjugate base of ursodeoxycholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.		2.4320bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid		human metabolite;
mouse metabolite
pyrene
pyrene: structure in Merck Index, 9th ed, #7746. pyrene : An ortho- and peri-fused polycyclic arene consisting of four fused benzene rings, resulting in a flat aromatic system.		5.11160ortho- and peri-fused polycyclic arenefluorescent probe;
persistent organic pollutant
benzonidazole
benzonidazole: used in treatment of Chagas' disease. benznidazole : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2-nitroimidazol-1-yl)acetic acid with the aromatic amino group of benzylamine. Used for treatment of Chagas disease.		2.2110C-nitro compound;
imidazoles;
monocarboxylic acid amide		antiprotozoal drug
pirimicarb
pirimicarb: structure. pirimicarb : An aminopyrimidine that is N,N,4,5-tetramethylpyrimidin-2-amine substituted by a (dimethylcarbamoyl)oxy group at position 4.		1.9510aminopyrimidine;
carbamate ester;
tertiary amino compound		agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
environmental contaminant;
insecticide;
xenobiotic
dihydroxyethyldithiocarbamate
dihydroxyethyldithiocarbamate: mobilizes metallothionein-bound cadmium from tissue; increases biliary excretion of cadmium in rats		210
algestone acetophenide
Algestone Acetophenide: A progesterone that has been used in ESTRUS SYNCHRONIZATION and has been evaluated as an injectable contraceptive in combination with estradiol enanthate. It is also applied topically as an anti-inflammatory and in the treatment of ACNE.		1.9410
alkenes
[no description available]		8.46600
glutamic acid
Glutamic Acid: A non-essential amino acid naturally occurring in the L-form. Glutamic acid is the most common excitatory neurotransmitter in the CENTRAL NERVOUS SYSTEM.. glutamic acid : An alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2.		8.5280glutamic acid;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		Escherichia coli metabolite;
ferroptosis inducer;
micronutrient;
mouse metabolite;
neurotransmitter;
nutraceutical
2-isopropyl-3-methoxypyrazine
2-isopropyl-3-methoxypyrazine: structure given in first source		2.0510
cefazolin
Cefazolin: A semisynthetic cephalosporin analog with broad-spectrum antibiotic action due to inhibition of bacterial cell wall synthesis. It attains high serum levels and is excreted quickly via the urine.. cefazolin : A first-generation cephalosporin compound having [(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl and (1H-tetrazol-1-ylacetyl)amino side-groups at positions 3 and 7 respectively.		2.0410beta-lactam antibiotic allergen;
cephalosporin;
tetrazoles;
thiadiazoles		antibacterial drug
sodium azide
Sodium Azide: A cytochrome oxidase inhibitor which is a nitridizing agent and an inhibitor of terminal oxidation. (From Merck Index, 12th ed). sodium azide : The sodium salt of hydrogen azide (hydrazoic acid).		1.9810inorganic sodium saltantibacterial agent;
explosive;
mitochondrial respiratory-chain inhibitor;
mutagen
azides
Azides: Organic or inorganic compounds that contain the -N3 group.. azide : Any nitrogen molecular entity containing the group -N3.		5.4190pseudohalide anionmitochondrial respiratory-chain inhibitor
timolol
(S)-timolol (anhydrous) : The (S)-(-) (more active) enantiomer of timolol. A beta-adrenergic antagonist, both the hemihydrate and the maleate salt are used in the mangement of glaucoma, hypertension, angina pectoris and myocardial infarction, and for the prevention of migraine.		2.4420timololanti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist
indoramin
Indoramin: An alpha-1 adrenergic antagonist that is commonly used as an antihypertensive agent.		1.9610tryptamines
benthiocarb
Saturn: The sixth planet in order from the sun. It is one of the five outer planets of the solar system. Its twelve natural satellites include Phoebe and Titan.		2.4420monochlorobenzenes;
monothiocarbamic ester
7-ethoxycoumarin
7-ethoxycoumarin : A member of the class of coumarins that is umbelliferone in which the hydroxy group at position 7 is replaced by an ethoxy group.		1.9710aromatic ether;
coumarins
3,4,3',4'-tetrachlorobiphenyl
3,4,3',4'-tetrachlorobiphenyl: RN given refers to parent cpd. 3,3',4,4'-tetrachlorobiphenyl : A tetrachlorobiphenyl that is biphenyl in which the hydrogens at position 3 and 4 on each phenyl group are replaced by chlorines.		6.9610dichlorobenzene;
tetrachlorobiphenyl
paclitaxel
Taxus: Genus of coniferous yew trees or shrubs, several species of which have medicinal uses. Notable is the Pacific yew, Taxus brevifolia, which is used to make the anti-neoplastic drug taxol (PACLITAXEL).		2.5120taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent
amitraz
amitraz: ixodicide (tick control); structure. amitraz : A tertiary amino compound that is 1,3,5-triazapenta-1,4-diene substituted by a methyl group at position 3 and 2,4-dimethylphenyl groups at positions 1 and 5.		2.4110formamidines;
tertiary amino compound		acaricide;
environmental contaminant;
insecticide;
xenobiotic
15-crown-5
15-crown-5 : A saturated organic heteromonocyclic parent that is cyclopentadecane in which the carbon atoms at positions 1, 4, 7, 10 and 13 have been replaced by oxygen atoms to give a crown ether.		2.0310crown ether;
saturated organic heteromonocyclic parent
2,3,4,5-tetrachlorobiphenyl
tetrachlorobiphenyl : Any polychlorobiphenyl with molecular formula C12H6Cl4.		2.0410tetrachlorobenzene;
tetrachlorobiphenyl
etoposide
[no description available]		2.9440beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound		antineoplastic agent;
DNA synthesis inhibitor
substance p
[no description available]		2.0710peptideneurokinin-1 receptor agonist;
neurotransmitter;
vasodilator agent
1'-acetoxysafrole
[no description available]		6.9610
2,5-dichlorobiphenyl
2,5-dichlorobiphenyl : A dichlorobiphenyl that is p-dichlorobenzene in which one of the hydrogens has been replaced by a phenyl group.		2.0410dichlorobenzene;
dichlorobiphenyl
2,4'-dichlorobiphenyl
2,4'-dichlorobiphenyl: RN given refers to unlabeled cpd. 2,4'-dichlorobiphenyl : A dichlorobiphenyl that is chlorobenzene in which the hydrogen at position 2 has been replaced by a 4-chlorophenyl group.		2.0410dichlorobiphenyl;
monochlorobenzenes
2,4,5,2',4',5'-hexachlorobiphenyl
[no description available]		6.9610hexachlorobiphenyl
2,4,6-trichlorobiphenyl
2,4,6-trichlorobiphenyl: structure given in first source		2.0410
penbutolol
Penbutolol: A nonselective beta-blocker used as an antihypertensive and an antianginal agent.		2.0210ethanolamines
ribavirin
Rebetron: Rebetron is tradename		1.99101-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide		anticoronaviral agent;
antiinfective agent;
antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
miloxacin
miloxacin: structure in second source		2.0410quinolines
octachlorodibenzofuran
octachlorodibenzofuran: structure		2.2510polychlorinated dibenzofuran
agent orange
Agent Orange: A herbicide that contains equal parts of 2,4-dichlorophenoxyacetic acid (2,4-D) and 2,4,5-trichlorophenoxyacetic acid (2,4,5-T), as well as traces of the contaminant 2,3,7,8-tetrachlorodibenzo-p-dioxin.		1.9610
methyldopa
Methyldopa: An alpha-2 adrenergic agonist that has both central and peripheral nervous system effects. Its primary clinical use is as an antihypertensive agent.. alpha-methyl-L-dopa : A derivative of L-tyrosine having a methyl group at the alpha-position and an additional hydroxy group at the 3-position on the phenyl ring.		3.0450L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		alpha-adrenergic agonist;
antihypertensive agent;
hapten;
peripheral nervous system drug;
sympatholytic agent
diltiazem
Diltiazem: A benzothiazepine derivative with vasodilating action due to its antagonism of the actions of CALCIUM ion on membrane functions.. diltiazem : A 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate in which both stereocentres have S configuration. A calcium-channel blocker and vasodilator, it is used as the hydrochloride in the management of angina pectoris and hypertension.		2.02105-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetateantihypertensive agent;
calcium channel blocker;
vasodilator agent
isoprothiolane
isoprothiolane: structure given in first source. isoprothiolane : A malonate ester that is diisopropyl malonate in which the two methylene hydrogens at position 2 are replaced by a 1,3-dithiolan-2-ylidene group. An insecticide and fungicide used to control a range of diseases including Pyricularia oryzae, Helminthosporium sigmoideum and Fusarium nivale.		1.9710dithiolanes;
isopropyl ester;
malonate ester		antifungal agrochemical;
environmental contaminant;
insecticide;
phospholipid biosynthesis inhibitor
2,3,7,8-tetrachlorodibenzofuran
2,3,7,8-tetrachlorodibenzofuran: toxic product which was generated in Italy due to an explosion in a plant manufacturing 2,4,5-trichlorophenol		2.0210polychlorinated dibenzofuran
permethrin
hemoglobin Atlanta-Coventry: Leu replaced by Pro at beta75 and Leu deleted at beta141		2.8130cyclopropanecarboxylate ester;
cyclopropanes		agrochemical;
ectoparasiticide;
pyrethroid ester acaricide;
pyrethroid ester insecticide;
scabicide
chlorodiphenyl (54% chlorine)
Chlorodiphenyl (54% Chlorine): A mixture of polychlorinated biphenyls that induces hepatic microsomal UDP-glucuronyl transferase activity towards thyroxine.. Aroclor 1254 : A mixture of polychlorobiphenyls of unspecified composition, containing 54% chlorine (X = Cl or H).		3.4680
decamethrin
decamethrin: pyrethroid insecticide; RN given refers to cpd without isomeric designation; structure		2.0310aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organobromine compound		agrochemical;
antifeedant;
calcium channel agonist;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
pyrethroid ester insecticide
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid
[no description available]		2.110chromanol;
monocarboxylic acid;
phenols		antioxidant;
ferroptosis inhibitor;
neuroprotective agent;
radical scavenger;
Wnt signalling inhibitor
desflurane
Desflurane: A fluorinated ether that is used as a volatile anesthetic for maintenance of general anesthesia.		2.4120organofluorine compoundinhalation anaesthetic
prenalterol
Prenalterol: A partial adrenergic agonist with functional beta 1-receptor specificity and inotropic effect. It is effective in the treatment of acute CARDIAC FAILURE, postmyocardial infarction low-output syndrome, SHOCK, and reducing ORTHOSTATIC HYPOTENSION in the SHY-RAGER SYNDROME.		1.9610aromatic ether
diaziquone
diaziquone: RN given refers to parent cpd. diaziquone : A 1,4-benzoquinone that is substituted at positions 2 and 5 have been replaced by aziridin-1-yl groups and at positions 3 and 6 by (ethoxycarbonyl)amino groups.		6.97101,4-benzoquinones;
aziridines;
carbamate ester;
enamine		alkylating agent;
antineoplastic agent
enkephalin, methionine
Enkephalin, Methionine: One of the endogenous pentapeptides with morphine-like activity. It differs from LEU-ENKEPHALIN by the amino acid METHIONINE in position 5. Its first four amino acid sequence is identical to the tetrapeptide sequence at the N-terminal of BETA-ENDORPHIN.		1.9810
dihydroalprenolol
Dihydroalprenolol: Hydrogenated alprenolol derivative where the extra hydrogens are often tritiated. This radiolabeled form of ALPRENOLOL, a beta-adrenergic blocker, is used to label the beta-adrenergic receptor for isolation and study.		1.9610
2-benzoylhydrazono-1,3-dithiolane
[no description available]		1.9710
progabide
progabide: GABA agonist; structure		2.0510diarylmethane
foscarnet sodium
trisodium phosphonoformate : The trisodium salt of phosphonoformic acid. It is used as an antiviral agent in the treatment of cytomegalovirus retinitis (CMV retinitis, an inflamation of the retina that can lead to blindness) and as an alternative to ganciclovir for AIDS patients who require concurrent antiretroviral therapy but are unable to tolerate ganciclovir due to haematological toxicity.		2.0210one-carbon compound;
organic sodium salt		antiviral drug
4-(n-methyl-n-nitrosamino)-1-(3-pyridyl)-1-butanone
4-(N-methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone: structure; from tobacco smoke		7.152nitrosamine;
pyridines
chlorsulfuron
chlorsulfuron: RN given refers to parent cpd; structure given in first source. chlorsulfuron : An N-sulfonylurea that is N-carbamoyl-2-chlorobenzenesulfonamide in which one of the hydrogens attached to the non-sulfonylated nitrogen has been replaced by a 4-methoxy-6-methyl-1,3,5-triazin-2-yl group. A herbicide used for the control of broadleaf weeds in wheat, barley and oats.		2.4110methoxy-1,3,5-triazine;
monochlorobenzenes;
N-sulfonylurea		agrochemical;
EC 2.2.1.6 (acetolactate synthase) inhibitor;
herbicide
tiotidine
tiotidine: UD gives slightly different structure for this cpd; RN given refers to parent cpd; structure in first source		1.9910thiazoles
alfentanil
Alfentanil: A short-acting opioid anesthetic and analgesic derivative of FENTANYL. It produces an early peak analgesic effect and fast recovery of consciousness. Alfentanil is effective as an anesthetic during surgery, for supplementation of analgesia during surgical procedures, and as an analgesic for critically ill patients.. alfentanil : A member of the class of piperidines that is piperidine having a 2-(4-ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl group at the 1-position as well as N-phenylpropanamido- and methoxymethyl groups at the 4-position.		2.0410monocarboxylic acid amide;
piperidines		central nervous system depressant;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic;
peripheral nervous system drug
fomesafen
fomesafen: a protoporphyrinogen oxidase-inhibiting herbicide. fomesafen : An N-sulfonylcarboxamide that is N-(methylsulfonyl)benzamide in which the phenyl ring is substituted by a nitro group at position 2 and a 2-chloro-4-(trifluoromethyl)phenoxy group at position 5. A protoporphyrinogen oxidase inhibitor, it was specially developed for use (generally as the corresponding sodium salt, fomesafen-sodium) for post-emergence control of broad-leaf weeds in soya.		2.8740aromatic ether;
C-nitro compound;
monochlorobenzenes;
N-sulfonylcarboxamide;
organofluorine compound;
phenols		agrochemical;
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide
fenoxycarb
fenoxycarb: used against mosquitoes (Diptera:Culicidae); structure given in first source. fenoxycarb : A carbamate ester that is the O-ethyl carbamate of 2-(4-phenoxyphenoxy)ethylamine.		210aromatic ether;
carbamate ester		environmental contaminant;
insecticide;
juvenile hormone mimic;
xenobiotic
phosphanilic acid
phosphanilic acid: structure		6.9210
remoxipride
Remoxipride: An antipsychotic agent that is specific for dopamine D2 receptors. It has been shown to be effective in the treatment of schizophrenia.		210dimethoxybenzene
cicletanine
[no description available]		2.0210organochlorine compound
temelastine
[no description available]		2.0210pyrimidone
salmeterol xinafoate
Salmeterol Xinafoate: A selective ADRENERGIC BETA-2 RECEPTOR agonist that functions as a BRONCHODILATOR when administered by inhalation. It is used to manage the symptoms of ASTHMA and CHRONIC OBSTRUCTIVE PULMONARY DISEASE.		4.811naphthoic acid
zolmitriptan
zolmitriptan: an antimigraine compound; a serotonin (5HT)-1D receptor agonist. zolmitriptan : A member of the class of tryptamines that is N,N-dimethyltryptamine in which the hydrogen at position 5 of the indole ring has been replaced by a [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl group. A serotonin 5-HT1 B and D receptor agonist, it is used for the treatment of migraine.		7.0310oxazolidinone;
tryptamines		anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent
adenosine
quinquefolan B: isolated from roots of Panax quinquefolium L.; RN not in Chemline 10/87; RN from Toxlit		10.2731adenosines;
purines D-ribonucleoside		analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent
nitroaniline
nitroaniline: RN given refers to cpd with unspecified locant for nitro moiety. nitroaniline : A substituted aniline that carries one or more nitro groups.		2.3820
tertiary-amyl methyl ether
tertiary-amyl methyl ether: structure given in first source		2.4220
propyltrimethoxysilane
[no description available]		2.1110
ferric citrate
ferric citrate: RN given refers to Fe(+3)[1:1] salt. iron(III) citrate : An iron chelate resulting from the combination of iron(3+) and citrate(3-).		2.0310iron chelateanti-anaemic agent;
nutraceutical
1-n-butylimidazole
[no description available]		2.0510
pyranine
pyranine: structure		2.0210organic sodium saltfluorochrome
vanadates
Vanadates: Oxyvanadium ions in various states of oxidation. They act primarily as ion transport inhibitors due to their inhibition of Na(+)-, K(+)-, and Ca(+)-ATPase transport systems. They also have insulin-like action, positive inotropic action on cardiac ventricular muscle, and other metabolic effects.. vanadate(3-) : A vanadium oxoanion that is a trianion with formula VO4 in which the vanadium is in the +5 oxidation state and is attached to four oxygen atoms.		8.8530trivalent inorganic anion;
vanadium oxoanion		EC 3.1.3.1 (alkaline phosphatase) inhibitor;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor
florisil
Florisil: hard, porous, granular substance used in vitamin analysis, chromatography, & antibiotic processing		2.1110
3-iodo-2-propynylbutylcarbamate
3-iodo-2-propynylbutylcarbamate: RN & structure given in first source. 3-iodoprop-2-yn-1-yl butylcarbamate : A carbamate ester that is carbamic acid in which the nitrogen has been substituted by a butyl group and in which the hydrogen of the carboxy group is replaced by a 1-iodoprop-2-yn-3-yl group. A fungicide, it is used as a preservative and sapstain control chemical in wood products and as a preservative in adhesives, paints, latex paper coating, plastic, water-based inks, metal working fluids, textiles, and numerous consumer products.		2.0610acetylenic compound;
carbamate ester;
carbamate fungicide;
organoiodine compound		antifungal agrochemical;
environmental contaminant;
xenobiotic
sudan iii
sudan III: structure in first source. Sudan III : A bis(azo) compound that is 2-naphthol substituted at position 1 by a 4-{[(2-methylphenyl)diazenyl]phenyl}diazenyl group. A fat-soluble dye predominantly used for demonstrating triglycerides in frozen sections, but which may also stain some protein bound lipids in paraffin sections.		1.9810azobenzenes;
bis(azo) compound;
naphthols		carcinogenic agent;
fluorochrome;
histological dye
acridine orange
Acridine Orange: A cationic cytochemical stain specific for cell nuclei, especially DNA. It is used as a supravital stain and in fluorescence cytochemistry. It may cause mutations in microorganisms.. acridine orange : Fluorescent dye useful for cell cycle determination. It is cell-permeable, and interacts with DNA and RNA by intercalation or electrostatic attractions respectively.. acridine orange free base : A member of the class of aminoacridines that is acridine carrying two dimethylamino substituents at positions 3 and 6. The hydrochloride salt is the fluorescent dye 'acridine orange', used for cell cycle determination.		2.0210aminoacridines;
aromatic amine;
tertiary amino compound		fluorochrome;
histological dye
trifluoromethanesulfonic acid
trifluoromethanesulfonic acid: deblocking reagent for peptide synthesis; RN given refers to parent cpd. triflic acid : A one-carbon compound that is methanesulfonic acid in which the hydrogens attached to the methyl carbon have been replaced by fluorines.		2.9540one-carbon compound;
perfluoroalkanesulfonic acid
sodium persulfate
sodium persulfate: RN given refers to peroxydisulfuric acid, di-Na salt		2.7730
rubidium chloride
rubidium chloride : An inorganic chloride composed of rubidium and chloride ions in a 1:1 ratio.		2.110inorganic chloride;
rubidium molecular entity		antidepressant;
biomarker
2-butene
2-butene: RN given refers to cpd without isomeric designation		2.0810but-2-ene
3-(trimethoxysilyl)propyldimethyloctadecylammonium
3-(trimethoxysilyl)propyldimethyloctadecylammonium: RN given refers to chloride		2.0310
octyl glucoside
octyl-beta-D-glucoside: RN given refers to (beta)-isomer. octyl beta-D-glucopyranoside : An beta-D-glucoside in which the anomeric hydrogen of beta-D-glucopyranose is substituted by an octyl group.		2.2510beta-D-glucosideplant metabolite
propranolol hydrochloride
Inderex: combination of above cpds; used in treatment of hypertension		1.9610hydrochloride
trazodone hydrochloride
Triticum: A plant genus of the family POACEAE that is the source of EDIBLE GRAIN. A hybrid with rye (SECALE CEREALE) is called TRITICALE. The seed is ground into FLOUR and used to make BREAD, and is the source of WHEAT GERM AGGLUTININS.. trazodone hydrochloride : A hydrochloride salt prepared from equimolar amounts of trazodone and hydrogen chloride.		3.0950hydrochlorideadrenergic antagonist;
antidepressant;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor
aluminum phosphate
aluminum phosphate: gel used as immunologic adjuvent; RN given refers to Al salt		2.0310
glucose, (beta-d)-isomer
beta-D-glucose : D-Glucopyranose with beta configuration at the anomeric centre.. (1->4)-beta-D-glucan : A beta-D-glucan in which the glucose units are connected by (1->4) linkages.. (1->3)-beta-D-glucan : A beta-D-glucan in which the glucose units are connected by (1->3) linkages.		5.9471D-glucopyranoseepitope;
mouse metabolite
ursolic acid
[no description available]		6.9310hydroxy monocarboxylic acid;
pentacyclic triterpenoid		geroprotector;
plant metabolite
thymine arabinoside
thymine arabinoside: selectively inhibits replication of herpes simplex virus		1.9710N-glycosyl compound
alpha-terthienyl
[no description available]		2.0510terthiophene
3-amino-4-hydroxybenzoic acid
3-amino-4-hydroxybenzoic acid : A monohydroxybenzoic acid that is 4-hydroxybenzoic acid carrying an additional amino substitutent at position 3.		2.0310aminobenzoic acid;
monohydroxybenzoic acid
10,10'-dimethyl-9,9'-biacridinium
10,10'-dimethyl-9,9'-biacridinium: chemoluminescent probe; RN given refers to dinitrate; Lucigenin refers to dinitrate		1.9810
phosphoramidic acid
phosphoramidic acid: urease inhibitor; RN given refers to parent cpd; structure; do not confuse with phosphoramidites, which are organophosphorus compounds		2.0510phosphoric acid derivative
1,2-distearoyllecithin
[no description available]		1.9610
testosterone undecanoate
[no description available]		2.0510steroid ester
lissamine rhodamine b
lissamine rhodamine B: RN given refers to parent cpd; Lissamine Rhodamine B refers to Na salt		2.4110
2-oxothiazolidine-4-carboxylic acid
2-oxothiazolidine-4-carboxylic acid: analog of 5-oxoproline in which the 4-methylene moiety is replaced by sulfur; acts as 5-oxo-L-prolinase substrate; structure in first source; RN given refers to parent cpd without isomeric designation; Procysteine is a trade name		1.9710
pyrrolidine dithiocarbamate
pyrrolidine dithiocarbamic acid: spelled pyrolidine in J Nutr 1979 reference; RN given refers to parent cpd. pyrrolidine dithiocarbamate : A member of the class of dithiocarbamic acids that is the N-dithiocarboxy derivative of pyrrolidine.		210dithiocarbamic acids;
pyrrolidines		anticonvulsant;
antineoplastic agent;
geroprotector;
neuroprotective agent;
NF-kappaB inhibitor;
radical scavenger
peroxynitric acid
[no description available]		1.9910nitrogen oxoacid
glutathione disulfide
Glutathione Disulfide: A GLUTATHIONE dimer formed by a disulfide bond between the cysteine sulfhydryl side chains during the course of being oxidized.		2.7830glutathione derivative;
organic disulfide		Escherichia coli metabolite;
mouse metabolite
2-acrylamido-2-methylpropanesulfonate
2-acrylamido-2-methylpropanesulfonate: for detection of alkaline phosphatase; RN given refers to parent cpd; do not confuse with AMPS cpd		210organosulfonic acid
fenclofenac
fenclofenac: RN given refers to parent cpd		210aromatic ether
cephalosporin c
cephalosporin C: RN given refers to parent cpd; structure in Merck, 9th ed, #1937. cephalosporin C : A cephalosporin antibiotic carrying a 3-acetoxymethyl substituent and a 6-oxo-N(6)-L-lysino group at position 7.		2.0810cephalosporinfungal metabolite
inaperisone
inaperisone: structure given in first source; RN given refers to parent cpd without isomeric designation		2.0410aromatic ketone
lumiflavin
lumiflavin : A compound showing yellow-green fluorescence, formed by a photolysis of riboflavin in alkaline solution.		2.0310flavin
boron nitride
[no description available]		2.4820nitride
perylenediimide
perylenediimide: structure in first source. perylenediimide : The 3,4,9,10-tetracarboxylic diimide derivative of perylene.		2.0610dicarboximide;
organic heteropolycyclic compound		fluorochrome
naphthalimides
Naphthalimides: Compounds with three fused rings that appear like a naphthalene fused to piperidone or like a benz(de)isoquinoline-1,3-dione (not to be confused with BENZYLISOQUINOLINES which have a methyl separating the naphthyl from the benzyl rings). Members are CYTOTOXINS.		2.2110
divinyl benzene
[no description available]		3.0140styrenes
4-phenylbenzoic acid
4-phenylbenzoic acid: RN given refers to 4-carboxylic cpd		2.0410
4-chlorobenzenesulfonamide
[no description available]		1.9510sulfonamide
porphine
porphine: structure given in first source		2.2110
fast blue bb
Fast Blue BB: RN given refers to parent cpd		1.9510
2-ethoxybenzoic acid
[no description available]		2.0210
phenoxazine
phenoxazine: RN given refers to 10H-phenoxazine. 10H-phenoxazine : A member of the class of phenoxazines that is morpholine which is ortho-fused to two benzene rings at positions 2-3 and 5-6.		2.0510phenoxazineferroptosis inhibitor;
radical scavenger
estradiol-3,4-quinone
estradiol-3,4-quinone: structure in first source		2.0310
cresatin
[no description available]		2.0510benzoate ester;
phenols
2,4-diaminopyrimidine
2,6-diaminopyrimidine: structure in first source. pyrimidine-2,4-diamine : An aminopyrimidine in which a pyrimidine nucleus is substituted with amino groups at C-2 and C-4.		1.9810aminopyrimidine
1,7-phenanthroline
[no description available]		3.6490phenanthroline
triazoles
Triazoles: Heterocyclic compounds containing a five-membered ring with two carbon atoms and three nitrogen atoms with the molecular formula C2H3N3.. triazoles : An azole in which the five-membered heterocyclic aromatic skeleton contains three N atoms and two C atoms.		4.051401,2,3-triazole
4-trifluoromethylphenol
4-trifluoromethylphenol: metabolite of fluoxetine; structure in first source. 4-(trifluoromethyl)phenol : A member of the class of (trifluoromethyl)benzenes that is p-cresol in which the methyl group is perfluorinated. It is a metabolite of the drug fluoxetine.		2.0210(trifluoromethyl)benzenes;
phenols		drug metabolite;
marine xenobiotic metabolite
duroquinone
tetramethyl-1,4-benzoquinone: structure in first source. duroquinone : A member of the class of 1,4-benzoquinones that is 1,4-benzoquinone in which all four hydrogens are substituted by methyl groups.		2.03101,4-benzoquinones
delphinidin
Paraffin: A mixture of solid hydrocarbons obtained from petroleum. It has a wide range of uses including as a stiffening agent in ointments, as a lubricant, and as a topical anti-inflammatory. It is also commonly used as an embedding material in histology.. delphinidin chloride : An anthocyanidin chloride that has delphinidin as the cationic counterpart.		3.66100anthocyanidin chloride
2,6-dimethoxy-1,4-benzoquinone
2,6-dimethoxy-1,4-benzoquinone: structure given in first source		2.0510
1,2-dithiol-3-thione
1,2-dithiol-3-thione: has antioxidant activity; structure given in first source		3.09101,2-dithiole
fluorodeoxyglucose f18
Fluorodeoxyglucose F18: The compound is given by intravenous injection to do POSITRON-EMISSION TOMOGRAPHY for the assessment of cerebral and myocardial glucose metabolism in various physiological or pathological states including stroke and myocardial ischemia. It is also employed for the detection of malignant tumors including those of the brain, liver, and thyroid gland. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1162)		4.8112-deoxy-2-((18)F)fluoro-D-glucose;
2-deoxy-2-fluoro-aldehydo-D-glucose
sertraline
Sertraline: A selective serotonin uptake inhibitor that is used in the treatment of depression.. sertraline : A member of the class of tetralins that is tetralin which is substituted at positions 1 and 4 by a methylamino and a 3,4-dichlorophenyl group, respectively (the S,S diastereoisomer). A selective serotonin-reuptake inhibitor (SSRI), it is administered orally as the hydrochloride salt as an antidepressant for the treatment of depression, obsessive-compulsive disorder, panic disorder and post-traumatic stress disorder.		2.0610dichlorobenzene;
secondary amino compound;
tetralins		antidepressant;
serotonin uptake inhibitor
sulfaperine
sulfaperine: structure. sulfaperin : A substituted aniline that is sulfanilamide in which on of the hydrogens of the sulfonamide group has been replaced by a 5-methylpyrimidin-2-yl group.		2.4420pyrimidines;
substituted aniline;
sulfonamide antibiotic		antibacterial drug
3-propylphenol
3-propylphenol: insect bait; RN from File CHEMID		2.0510
1,2-benzenedithiol
1,2-benzenedithiol: structure in first source		2.0610
resorufin
[no description available]		2.0610phenoxazine
4-bromobenzenesulfonamide
4-bromobenzenesulfonamide: a metabolite of ebrotidine		1.9510
cyclopropylbenzene
[no description available]		1.9610
chlorosulfonyl isocyanate
chlorosulfonyl isocyanate: structure in first source		2.0610
1,2-benzisoxazole
1,2-benzisoxazole: structure in first source. 1,2-benzoxazole : A benzoxazole in which the benzene ring is fused to a 1,2-oxazole ring across positions 4 and 5.. benzisoxazole : Compounds based on a fused 1,2-oxazole and benzene bicyclic ring skeleton.		2.08101,2-benzoxazoles;
mancude organic heterobicyclic parent
2-phenylquinoline
2-phenylquinoline: structure in first source		7.4110
prethcamide
prethcamide: mixture of cropropamide & crotethamide used as respiratory stimulant & analgesic; major descriptor (66-85); on-line search AMINOBUTYRIC ACIDS (66-85); Index Medicus search PRETHCAMIDE (66-85)		1.9410
icotidine
icotidine: structure given in first source; RN given refers to tri-HCl		1.9910pyrimidone
coumarin 314
coumarin 314: structure in first source		2.07107-aminocoumarins;
ethyl ester		fluorochrome
tetracyanoquinodimethane
tetracyanoquinodimethane: structure. tetracyanoquinodimethane : A quinodimethane that is p-quinodimethane in which the methylidene hydrogens are replaced by cyano groups.		3.5620alicyclic compound;
nitrile;
quinodimethane
oxazolidin-2-one
Oxazolidinones: Derivatives of oxazolidin-2-one. They represent an important class of synthetic antibiotic agents.. oxazolidin-2-one : An oxazolidinone that is 1,3-oxazolidine with an oxo substituent at position 2.. oxazolidinone : An oxazolidine containing one or more oxo groups.		2.0310carbamate ester;
oxazolidinone		metabolite
ceric oxide
ceric oxide: RN given refers to cpd with MF CeO2. ceric oxide : A metal oxide with formula CeO2. It is used for polishing glass, in coatings for infra-red filters to prevent reflection, and as an oxidant and catalyst in organic synthesis.		3.1650cerium molecular entity;
metal oxide
hexamethyldisilane
[no description available]		2.0310
(2.2)paracyclophane
(2.2)paracyclophane: structure in first source		2.3920
phenylsulfate
phenylsulfate: RN given refers to parent cpd. phenyl hydrogen sulfate : An aryl sulfate that is phenol bearing an O-sulfo substituent.		7.6630aryl sulfatehuman xenobiotic metabolite
perfluorooctane sulfonic acid
perfluorooctane-1-sulfonic acid : A perfluoroalkanesulfonic acid that is octane-1-sulfonic acid in which all seventeen of the hydrogens that are attached to carbons hvae been replaced by fluorines.		2.2510perfluoroalkanesulfonic acidantilipemic drug;
persistent organic pollutant
5-phenyl-1-pentyne
[no description available]		2.0210
4-nitrophenyl propionate
[no description available]		1.9510
4-nitrophenyl butyrate
p-nitrophenyl butyrate : A butyrate ester resulting from the formal condensation of the hydroxy group of 4-nitrophenol with the carboxy group of butyric acid.		1.9510butyrate ester;
C-nitro compound
cyclobutanol
cyclobutanol: structure in first source		2.0510
phenyl hippurate
[no description available]		1.9510
n-octadecyltrimethoxysilane
n-octadecyltrimethoxysilane: used to form self-assembled monolayers for high contrast patterned adsorption of bovine serum albumin and deriviatives		210
2,5-furandicarboxylic acid
furan-2,5-dicarboxylic acid : A member of the class of furans carrying two carboxy substituents at positions 2 and 5.		2.1310dicarboxylic acid;
furans		human urinary metabolite
benzoyltyrosine ethyl ester
ethyl N-benzoyl-L-tyrosinate : An L-tyrosine derivative that is the ethyl ester of N-benzoyltyrosine.		1.9510benzamides;
ethyl ester;
L-tyrosine derivative;
phenols		chromogenic compound
1-benzylimidazole
1-benzylimidazole: inhibits human thromboxane synthetase		2.0510
1,4-dioxin
1,4-dioxine : An oxacycle that is 4H-pyran in which the methylene group at position 4 is replaced by an oxygen. Non-aromatic.		2.110oxacycle
1,3,6,8-pyrene tetrasulfonate
1,3,6,8-pyrene tetrasulfonate: RN given refers to parent cpd		2.4110
3,7-dimethyl-7-octen-1-ol
Geranium: A plant genus of the family GERANIACEAE. Geranium is also used as a common name for PELARGONIUM.		2.1110
9,10-bis(phenylethynyl)anthracene
[no description available]		2.0810anthracenes;
arylacetylene;
benzenes		fluorochrome
biotin sulfone
biotin sulfone: RN given for (3aS-(3aalpha,4beta,6aalpha))-isomer; structure in first source. biotin sulfone : A member of the class of biotins that is biotin sulfoxide with a sulfone group replacing the sulfoxide.		2.0810biotins;
sulfone		metabolite
4-chloro-3-ethylphenol
[no description available]		2.0810
bromates
Bromates: Negative ions or salts derived from bromic acid, HBrO3.		2.2110bromine oxoanion;
monovalent inorganic anion
1,2-bis(triethoxysilyl)ethane
[no description available]		2.0610
hexylphosphonic acid diethyl ester
[no description available]		2.2110
difenoconazole
difenoconazole : A member of the class of dioxolanes that is 1,3-dioxolane substituted at position 2 by 2-chloro-4-(4-chlorophenoxy)phenyl and 1,2,4-triazol-1-ylmethyl groups. A broad spectrum fungicide with novel broad-range activity used as a spray or seed treatment. It is moderately toxic to humans, mammals, birds and most aquatic organisms.		2.610aromatic ether;
conazole fungicide;
cyclic ketal;
dioxolane;
triazole fungicide;
triazoles		antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
environmental contaminant;
xenobiotic
coenzyme a
[no description available]		8.0450adenosine 3',5'-bisphosphatecoenzyme;
Escherichia coli metabolite;
mouse metabolite
nicotine
(S)-nicotine : A 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has S-configuration. The naturally occurring and most active enantiomer of nicotine, isolated from Nicotiana tabacum.		8.742233-(1-methylpyrrolidin-2-yl)pyridineanxiolytic drug;
biomarker;
immunomodulator;
mitogen;
neurotoxin;
nicotinic acetylcholine receptor agonist;
peripheral nervous system drug;
phytogenic insecticide;
plant metabolite;
psychotropic drug;
teratogenic agent;
xenobiotic
nsc-172755
butocin: S-substituted analog of mercaptopurine which functions as a cytostatic agent; minor descriptor (75-85); on-line search 6-MERCAPTOPURINE/AA (75-84); Index Medicus search MERCAPTOPURINE/analogs (75-84)		2.7530
fibrinogen
Fibrinogen: Plasma glycoprotein clotted by thrombin, composed of a dimer of three non-identical pairs of polypeptide chains (alpha, beta, gamma) held together by disulfide bonds. Fibrinogen clotting is a sol-gel change involving complex molecular arrangements: whereas fibrinogen is cleaved by thrombin to form polypeptides A and B, the proteolytic action of other enzymes yields different fibrinogen degradation products.. D-iditol : The D-enantiomer of iditol.		10.1431iditolfungal metabolite
oxazine 1
oxazine 1: RN & N1 from 9th CI Form Index & given refers to parent cpd		2.0610organic cation;
phenoxazine		fluorochrome
cholestanol, (3alpha, 5beta)-isomer
epicoprostanol: antioxidant; a major constituent of ambergris		2.110cholestanoid
2-tyrosine
2-tyrosine: RN given refers to cpd with unspecified isomeric designation. o-tyrosine : A racemate comprising equimolar amounts of D- and L-o-tyrosine.. 2-hydroxyphenylalanine : A phenylalanine derivative that is phenylalanine carrying a hydroxy substituent at position 2 on the benzene ring.		1.9710non-proteinogenic alpha-amino acid;
phenols;
phenylalanine derivative
goethite
[no description available]		2.0510
homocysteine
Homocysteine: A thiol-containing amino acid formed by a demethylation of METHIONINE.. homocysteine : A sulfur-containing amino acid consisting of a glycine core with a 2-mercaptoethyl side-chain.. L-homocysteine : A homocysteine that has L configuration.		2.8740amino acid zwitterion;
homocysteine;
serine family amino acid		fundamental metabolite;
mouse metabolite
tris-(2,4-di-tert-butylphenyl) phosphite
tris-(2,4-di-tert-butylphenyl) phosphite: structure given in first source		2.0210alkylbenzene
triflumizol
triflumizol: structure given in first source. triflumizole : A carboxamidine resulting from the formal condensation of the amino group of 4-chloro-2-(trifluoromethyl)aniline with the oxygen of the acetyl group of N-(propoxyacetyl)imidazole. A sterol demethylation inhibitor, it is used as a fungicide for the control of powdery mildew, scab and other diseases on a variety of crops.		2.0510
sulcotrione
sulcotrione: a bleaching herbicide. sulcotrione : An aromatic ketone that is cyclohexane-1,3-dione substituted by a 2-chloro-4-(methylsulfonyl)benzoyl group at position 2.		2.0810aromatic ketone;
beta-triketone;
cyclohexanones;
sulfone		carotenoid biosynthesis inhibitor;
environmental contaminant;
herbicide;
xenobiotic
sk&f 95282
zolantidine: structure given in first source		1.9910piperidines
tylophorine
tylophorine: phenanthroindolizidine alkaloid		710organic heteropentacyclic compound;
organonitrogen heterocyclic compound
4-hydroxyphenylglycine
4-hydroxyphenylglycine : A glycine molecule carrying a 4-hydroxyphenyl substituent.		2.110hydroxy-amino acidbacterial metabolite
acid violet 17
violet BNP: structure given in first source		2.0510
triptycene
triptycene: structure in first source		2.0410anthracenes
indole-3-lactic acid
indole-3-lactic acid: RN given refers to cpd without isomeric designation. 3-(indol-3-yl)lactic acid : A hydroxy monocarboxylic acid that is lactic acid substituted by a 1H-indol-3-yl group at position 3. It is a metabolite of tryptophan.		2.0710hydroxy monocarboxylic acid;
indol-3-yl carboxylic acid		human metabolite
4-nitrophenyl alpha-glucoside
4-nitrophenyl alpha-glucoside: RN given refers to (alpha)-anomer; see also (beta)-anomers: 29857-05-4, 2492-87-7; cpd with unspecified anomer: 5779-46-4. 4-nitrophenyl alpha-D-glucoside : An alpha-D-glucoside that is beta-D-glucopyranose in which the anomeric hydroxy hydrogen is replaced by a 4-nitrophenyl group.		1.9910alpha-D-glucoside;
C-nitro compound;
monosaccharide derivative		chromogenic compound
glycidyl nitrate
glycidyl nitrate: a nitric oxide donor; structure in first source. peptidoglycan : A peptidoglycosaminoglycan formed by alternating residues of beta-(1->4)-linked N-acetylglucosamine and N-acetylmuramic acid {2-amino-3-O-[(S)-1-carboxyethyl]-2-deoxy-D-glucose} residues. Attached to the carboxy group of the muramic acid is a peptide chain of three to five amino acids.		2.3920
melamine formaldehyde
[no description available]		2.1510
methyl beta-galactoside
methyl beta-galactoside: RN given refers to (beta-D)-isomer. methyl galactoside : A methyl glycoside in which the H of the OH group on C-1 of galactose is replaced by a methyl group.. methyl beta-D-galactoside : A beta-D-galactopyranoside having a methyl substituent at the anomeric position.		2.0210beta-D-galactoside;
methyl D-galactoside;
monosaccharide derivative
n-acetylphenylalanine ethyl ester
N-acetylphenylalanine ethyl ester: RN given refers to (L)-isomer		1.9510
pyrimidine dimers
Pyrimidine Dimers: Dimers found in DNA chains damaged by ULTRAVIOLET RAYS. They consist of two adjacent PYRIMIDINE NUCLEOTIDES, usually THYMINE nucleotides, in which the pyrimidine residues are covalently joined by a cyclobutane ring. These dimers block DNA REPLICATION.		2.0310
glucuronic acid
Glucuronic Acid: A sugar acid formed by the oxidation of the C-6 carbon of GLUCOSE. In addition to being a key intermediate metabolite of the uronic acid pathway, glucuronic acid also plays a role in the detoxification of certain drugs and toxins by conjugating with them to form GLUCURONIDES.. D-glucuronic acid : The D-enantiomer of glucuronic acid.. D-glucopyranuronic acid : A D-glucuronic acid in cyclic pyranose form.		3.3270D-glucuronic acidalgal metabolite
allenolic acid
allenolic acid: structure in first source		2.0610naphthols
benzothiazoline
[no description available]		2.0410
4-nitrophenyloctanoate
[no description available]		1.9510
4-methylhippuric acid
4-methylhippuric acid: urinary metabolite of p-xylene. p-methylhippuric acid : An N-acylglycine in which the acyl group is specified as 4-methylbenzoyl.		2.0210N-acylglycinemetabolite
3-methylhippuric acid
3-methylhippuric acid: urinary metabolite of m-xylene. m-methylhippuric acid : An N-acylglycine that is the 3-methyl derivative of hippuric acid.		1.9810N-acylglycinemetabolite
tetrathiafulvalene
tetrathiafulvalene: used in carbon paste amperometric enzyme electrode for the determination of glucose in flowing systems. tetrathiafulvalene : A member of the class of fulvalenes that is ethene substituted by 1,3-dithiol-2-ylidene groups at positions 1 and 2.		7.110fulvalenes;
organosulfur heterocyclic compound
alpha-glutamyltryptophan
alpha-glutamyltryptophan: RN refers to L-isomer; a naturally occurring thymic immunomodulator. Glu-Trp : A dipeptide composed of L-glutamic acid and L-tryptophan joined by a peptide linkage.		2.420dipeptideangiogenesis modulating agent;
antineoplastic agent;
immunomodulator;
metabolite
leukogen
[no description available]		1.9310
methyl mannoside, (alpha-d)-isomer
methylmannoside: RN given refers to (D)-isomer; see also record for 3-O-methylmannose. methyl alpha-D-mannoside : A methyl mannoside having alpha-configuration at the anomeric centre.		2.0210alpha-D-mannoside;
methyl mannoside
n-methyladenosine
N-methyladenosine: is a inhibitor of cell differentiation. N(6)-methyladenosine : A methyladenosine compound with one methyl group attached to N(6) of the adenine nucleobase.		2.610methyladenosine
bis(i,i-trifluoroacetoxy)iodobenzene
phenyliodine(III) bis(trifluoroacetate): structure in first source		2.0810
cobalt
Cobalt: A trace element that is a component of vitamin B12. It has the atomic symbol Co, atomic number 27, and atomic weight 58.93. It is used in nuclear weapons, alloys, and pigments. Deficiency in animals leads to anemia; its excess in humans can lead to erythrocytosis.. cobalt(1+) : A monovalent inorganic cation obtained from cobalt.. cobalt atom : A cobalt group element atom that has atomic number 27.		4.76310cobalt group element atom;
metal allergen		micronutrient
p-methoxy-n-methylphenethylamine
p-Methoxy-N-methylphenethylamine: A potent mast cell degranulator. It is involved in histamine release.. N,O-dimethyltyramine : A secondary amino compound that is tyramine in which the hydrogen of the phenolic hydroxy group has been replaced by a methyl group.		1.9510aromatic ether;
secondary amino compound		metabolite
yttrium radioisotopes
Yttrium Radioisotopes: Unstable isotopes of yttrium that decay or disintegrate emitting radiation. Y atoms with atomic weights 82-88 and 90-96 are radioactive yttrium isotopes.		2.0410
chlorates
Chlorates: Inorganic salts of chloric acid that contain the ClO3- ion.		3.1350chlorine oxoanion;
monovalent inorganic anion
arginyl-glycyl-aspartic acid
arginyl-glycyl-aspartic acid: amino acid sequence of basic unit of widespread cellular recognition system		2.4620oligopeptide
vitamin b 6
Vitamin B 6: VITAMIN B 6 refers to several PICOLINES (especially PYRIDOXINE; PYRIDOXAL; & PYRIDOXAMINE) that are efficiently converted by the body to PYRIDOXAL PHOSPHATE which is a coenzyme for synthesis of amino acids, neurotransmitters (serotonin, norepinephrine), sphingolipids, and aminolevulinic acid. During transamination of amino acids, pyridoxal phosphate is transiently converted into PYRIDOXAMINE phosphate. Although pyridoxine and Vitamin B 6 are still frequently used as synonyms, especially by medical researchers, this practice is erroneous and sometimes misleading (EE Snell; Ann NY Acad Sci, vol 585 pg 1, 1990). Most of vitamin B6 is eventually degraded to PYRIDOXIC ACID and excreted in the urine.		2.6230
cremophor el
cremophor EL: solvent for Althesin & Propanidid implicated as possible cause of similar adverse effects polyethoxylated castor oil; RN given refers to cpd with unknown MF; see also records for cremophor & cremophor A		1.9710
4-(methylnitrosamino)-1-(3-pyridyl)-1-butan-1-ol
4-(methylnitrosamino)-1-(3-pyridyl)-1-butan-1-ol: structure in first source. 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol : A member of the class of nitrosamines that is butan-1-ol substituted by a pyridin-3-yl group at position 1 and by a methyl(nitroso)amino group at position 4. It is a major metabolite of nitrosamine 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK), which is a carcinogen found in tobacco and responsible for inducing lung cancer in smokers.		3.5420nitrosamine;
pyridines;
secondary alcohol		biomarker;
carcinogenic agent;
human urinary metabolite
diacetyldichlorofluorescein
diacetyldichlorofluorescein: stable storage form of dichlorofluorescein		2.4220
1,n(6)-ethenoadenine
1,N(6)-ethenoadenine: biologically active fluorescent derivatives of this cpd potentially valuable in studies concerning interactions between adenine cpds & various enzymes for which they serve as substrates or co-factors; structure		210imidazo[2,1-i]purinemutagen
dihydrorhodamine 123
dihydrorhodamine 123: uncharged & nonfluorescent derivative of the laser dye rhodamine 123; flow cytometric indicator for respiratory burst activity in neutrophil granulocytes		2.0310
cyanates
Cyanates: Organic salts of cyanic acid containing the -OCN radical.. cyanates : Salts and esters of cyanic acid, HOC#N; compounds carrying the cyanate functional group -O-C#N.. isocyanates : Organonitrogen compounds that are derivatives of isocyanic acid; compounds containing the isocyanate functional group -N=C=O (as opposed to the cyanate group, -O-C#N).		3.5790
pentoxyresorufin
[no description available]		6.9710
beta-carboline-3-carboxylic acid methyl ester
beta-carboline-3-carboxylic acid methyl ester: structure given in first source		2.0110beta-carbolines
3,n(4)-ethenodeoxycytidine
[no description available]		2.1110
s-benzyl-n-acetyl-l-cysteine
S-benzyl-N-acetyl-L-cysteine: RN given refers to (L)-isomer. N-acetyl-S-benzyl-L-cysteine : The S-benzyl derivative of N-acetyl-L-cysteine.		3.0640organic sulfide;
S-substituted N-acetyl-L-cysteine		human urinary metabolite;
rat metabolite
phosphites
Phosphites: Inorganic salts or organic esters of phosphorous acid that contain the (3-)PO3 radical. (From Grant & Hackh's Chemical Dictionary, 5th ed). phosphite(3-) : A trivalent inorganic anion obtained by removal of all three protons from phosphorous acid.		2.0210phosphite ion;
trivalent inorganic anion
triptolide
[no description available]		2.610diterpenoid;
epoxide;
gamma-lactam;
organic heteroheptacyclic compound		antispermatogenic agent;
plant metabolite
2-deoxyglucose-6-phosphate
[no description available]		1.9610deoxyaldohexose phosphateEscherichia coli metabolite;
Mycoplasma genitalium metabolite
tamibarotene
tamibarotene: has retinoid-binding activity. tamibarotene : A dicarboxylic acid monoamide resulting from the condensation of one of the carboxy groups of terephthalic acid with the amino group of 5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-amine.		2.2110dicarboxylic acid monoamide;
retinoid;
tetralins		antineoplastic agent;
retinoic acid receptor alpha/beta agonist
1-hexadecyl-2-acetyl-glycero-3-phosphocholine
Platelet Activating Factor: A phospholipid derivative formed by PLATELETS; BASOPHILS; NEUTROPHILS; MONOCYTES; and MACROPHAGES. It is a potent platelet aggregating agent and inducer of systemic anaphylactic symptoms, including HYPOTENSION; THROMBOCYTOPENIA; NEUTROPENIA; and BRONCHOCONSTRICTION.. 2-O-acetyl-1-O-hexadecyl-sn-glycero-3-phosphocholine : A 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine betaine which has hexadecyl as the alkyl group. PAF is a potent phospholipid activator and mediator of many leukocyte functions, including platelet aggregation, inflammation, and anaphylaxis.		1.98102-acetyl-1-alkyl-sn-glycero-3-phosphocholineantihypertensive agent;
beta-adrenergic antagonist;
bronchoconstrictor agent;
hematologic agent;
vasodilator agent
deoxyglucose
Deoxyglucose: 2-Deoxy-D-arabino-hexose. An antimetabolite of glucose with antiviral activity.. deoxyglucose : A deoxyhexose comprising glucose having at least one hydroxy group replaced by hydrogen.		2.0710
coumarin 343
coumarin 343: structure in first source		2.05107-aminocoumarinsfluorochrome
gamma-glutamylphenylalanine
gamma-glutamylphenylalanine: RN given refers to (L-Phe-L-Glu)-isomer. gamma-Glu-Phe : A dipeptide obtained by formal condensation of the side-chain carboxy group of L-glutamic acid with the amino group of L-phenylalanine.. gamma-glutamylphenylalanine : A dipeptide composed of glutamic acid and phenylalanine joined together by a peptide linkage.		2.0710dipeptidehuman urinary metabolite
leucinamide
leucinamide: leucine aminopeptidase alternative substrate to leucyl beta naphthylamide; RN given refers to parent cpd(S)-isomer		210
9-(2,3-dihydroxypropyl)adenine
[no description available]		2.0810
homoorientin
homoorientin: isolated from Swertia japonica; structure given in first source		4.811flavone C-glycoside;
tetrahydroxyflavone		antineoplastic agent;
radical scavenger
valerates
Valerates: Derivatives of valeric acid, including its salts and esters.		1.9410short-chain fatty acid anion;
straight-chain saturated fatty acid anion		plant metabolite
10-n-nonylacridinium orange
10-N-nonylacridinium orange: stains mitochondria of living HeLa-cells		2.0210
brassinolide
brassinolide: plant growth promoting steroidal lactone from rape pollen; RN given refers to (2alpha,3alpha,5alpha,22R,23R,24S)-isomer; structure in first source		7.211022-hydroxy steroid;
23-hydroxy steroid;
2alpha-hydroxy steroid;
3alpha-hydroxy steroid;
brassinosteroid		plant growth stimulator;
plant hormone
dimethyldioxirane
dimethyldioxirane: structure given in first source; powerful oxidizing agent		7.4520
benzo(a)pyrene-7,8,9,10-tetrol
benzo(a)pyrene-7,8,9,10-tetrol: structure given in first source		1.9810
duocarmycin sa
duocarmycin SA: structure similar to CC-1065 and yatakemycin, composed of a pyrrolo-indole plus an indole; isolated from Streptomyces		710
gallium nitride
[no description available]		2.0610
s-(3-hydroxypropyl)cysteine n-acetate
[no description available]		2.1110N-acyl-L-amino acid
phenylglucuronide
[no description available]		3.0450glycoside
caprylates
Caprylates: Derivatives of caprylic acid. Included under this heading are a broad variety of acid forms, salts, esters, and amides that contain a carboxy terminated eight carbon aliphatic structure.. octanoate : A straight-chain saturated fatty acid anion that is the conjugate base of octanoic acid (caprylic acid); believed to block adipogenesis.		2.940fatty acid anion 8:0;
straight-chain saturated fatty acid anion		human metabolite;
Saccharomyces cerevisiae metabolite
1,3,4-thiadiazole
1,3,4-thiadiazole: structure given in first source		7.4110thiadiazole
beta-phenylcysteine
[no description available]		2.940
2-(s-glutathionyl)hydroquinone
2-(glutathion-S-yl)-1,4-hydroquinone : A glutathione conjugate in which the thiol hydrogen of glutathione has been replaced by a 2,5-dihydroxyphenyl group.		2.3820aryl sulfide;
glutathione conjugate;
hydroquinones		human xenobiotic metabolite;
nephrotoxic agent
hydroxypropylmethylcellulose acetate succinate
hydroxypropylmethylcellulose acetate succinate: structure given in first source		2.1110
wye
[no description available]		1.9710
arabic acid
arabic acid: main component of gum arabic; RN given refers to parent cpd		6.9310arabinonic acid
tenax
tenax: porous polymer based on 2,6-diphenyl-p-phenylene oxide; used for trapping volatile organic compounds		2.420
benzoyl-coenzyme a
benzoyl-coenzyme A: RN given refers to unlabeled cpd		3.2150
florox reagent
Florox Reagent: reagent for analysis of ketosteroids; structure		2.0310
phosphate-binding proteolipid
phosphate-binding proteolipid: MW appx 3000; binds inorganic phosphate with high affinity & specificity; from rabbit kidney brush border membranes		2.0310
benzyne
benzyne: structure in first source. benzyne : 1,2-didehydrobenzene and its derivatives formed by substitution.		2.4110aryne;
benzyne
phenoxy radical
phenoxy radical : An organic radical generated from phenol.		1.9810organic radical
carbene
carbene: electrically neutral species H2C: and its derivatives, in which the carbon is covalently bonded to two univalent groups of any kind or a divalent group and bears two nonbonding electrons; carbene is the name of the parent hydride :CH2 ; hence, the name dichlorocarbene for :CCl2. However, names for acyclic and cyclic hydrocarbons containing one or more divalent carbon atoms are derived from the name of the corresponding all-4-hydrocarbon using the suffix -ylidene; methylene carbene also available. carbene : The electrically neutral species H2C(2.) and its derivatives, in which the carbon is covalently bonded to two univalent groups of any kind or a divalent group and bears two nonbonding electrons, which may be spin-paired (singlet state) or spin-non-paired (triplet state).		3.1550carbene;
methanediyl
1-adamantaneacetic acid
[no description available]		2.0510
hydronium ion
[no description available]		2.7330onium cation;
oxygen hydride
peroxynitrous acid
Peroxynitrous Acid: A potent oxidant synthesized by the cell during its normal metabolism. Peroxynitrite is formed from the reaction of two free radicals, NITRIC OXIDE and the superoxide anion (SUPEROXIDES).		2.9540nitrogen oxoacid
fullerene c60
Fullerenes: A polyhedral CARBON structure composed of around 60-80 carbon atoms in pentagon and hexagon configuration. They are named after Buckminster Fuller because of structural resemblance to geodesic domes. Fullerenes can be made in high temperature such as arc discharge in an inert atmosphere.. fullerene : A compound composed solely of an even number of carbon atoms, which form a cage-like fused-ring polycyclic system with twelve five-membered rings and the rest six-membered rings. The term has been broadened to include any closed cage structure consisting entirely of three-coordinate carbon atoms.		4.35190fullerenegeroprotector
imatinib mesylate
imatinib methanesulfonate : A methanesulfonate (mesylate) salt that is the monomesylate salt of imatinib. Used for treatment of chronic myelogenous leukemia and gastrointestinal stromal tumours.		2.5220methanesulfonate saltanticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor
1-((3,5-dichloro)-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone
1-((3,5-dichloro)-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone: structure given in first source. 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one : A differentiation-inducing factor that is hexaphenone bearing two chloro substituents at positions 3 and 5, two hydroxy substituents at positions 2 and 6 as well as a single methoxy substituent at position 4. A secreted, chlorinated molecule that controls cell fate during development of Dictyostelium cells.		2.1110dichlorobenzene;
differentiation-inducing factor;
monomethoxybenzene;
resorcinols		eukaryotic metabolite;
signalling molecule
methotrexate
[no description available]		8.0550dicarboxylic acid;
monocarboxylic acid amide;
pteridines		abortifacient;
antimetabolite;
antineoplastic agent;
antirheumatic drug;
dermatologic drug;
DNA synthesis inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
immunosuppressive agent
l 663581
L 663581: structure given in first source; partial agonist at the benzodiazepine receptor		1.9910
4-diethoxyphosphorylmethyl-n-(4-bromo-2-cyanophenyl)benzamide
4-diethoxyphosphorylmethyl-N-(4-bromo-2-cyanophenyl)benzamide: increases lipoprotein lipase activity with resulting elevation of high density lipoprotein cholesterol		1.9910
ilomastat
CS 610: matrix metalloproteinase inhibitor; structure in first source. ilomastat : An N-acyl-amino acid obtained by formal condensation of the carboxy group of (2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoic acid with the amino group of N-methyl-L-tryptophanamide. A cell permeable broad-spectrum matrix metalloproteinase (MMP) inhibitor		7.0410hydroxamic acid;
L-tryptophan derivative;
N-acyl-amino acid		anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
EC 3.4.24.24 (gelatinase A) inhibitor;
neuroprotective agent
omega-n-methylarginine
omega-N-Methylarginine: A competitive inhibitor of nitric oxide synthetase.. N(omega)-methyl-L-arginine : A L-arginine derivative with a N(omega)-methyl substituent.		2.3920amino acid zwitterion;
arginine derivative;
guanidines;
L-arginine derivative;
non-proteinogenic L-alpha-amino acid
triiodothyronine
L-homocysteine thiolactone : A thiolactone arising from formal condensation of the mercapto (sulfanyl) and carboxylic acid groups of L-homocysteine.		1.9310tetrahydrothiophenes;
thiolactone		human metabolite
xylose
xylopyranose: structure in first source		2.3820D-xylose
fulvene
fulvene: structure. fulvene : An organic cyclic compound that consists of cyclopentadiene bearing a methylene substituent. The parent of the class of fulvenes.		8.620fulvenes
quinone methide
quinone methide: intermediate in eumelanin biosynthesis; structure given in first source. quinomethane : A methylidenecyclohexadienone, formally derived from a benzoquinone by replacement of one of the quinone oxygens by a methylidene group.		2.7830quinomethane
cyclopropenone
cyclopropenone: structure in first source. cyclopropenone : Three-membered alicyclic ketones containing a single C=C double bond.		2.0210
borazine
borazine: structure in first source		8.1650inorganic aromatic compound;
inorganic heterocyclic compound
boron difluoride
boron difluoride: structure in first source		7.5420
cyclobutenone
cyclobutenone: structure in first source		2.0710
proline
Proline: A non-essential amino acid that is synthesized from GLUTAMIC ACID. It is an essential component of COLLAGEN and is important for proper functioning of joints and tendons.. proline : An alpha-amino acid that is pyrrolidine bearing a carboxy substituent at position 2.		8.0550amino acid zwitterion;
glutamine family amino acid;
L-alpha-amino acid;
proline;
proteinogenic amino acid		algal metabolite;
compatible osmolytes;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite
cdri 81-470
[no description available]		2.0410
alpha-methylhistidine
alpha-methylhistidine : A non-proteinogenic alpha-amino acid that is histidine in which the methyl group is located at the Calpha-position.. alpha-methyl-L-histidine : An alpha-methylhistidine that has L-configuration.		1.9610alpha-methylhistidine
1-methylcyclopropene
1-methylcyclopropene: do not confuse with 1-methylcyclopropane. 1-methylcyclopropene : A member of the class of cyclopropenes that is cyclopropene in which the hydrogen at position 1 has been replaced by a methyl group. A gas at room temperture and pressure, it is a (synthetic) ethylene perception inhibitor and is used to prolong the life of cut and potted flowers, other ornamental plants, and fruit.		2.1310cycloalkene;
cyclopropenes		agrochemical;
plant growth regulator
aspartylglutamate
aspartylglutamate: RN given refers to all (L)-isomer		210dipeptidemetabolite
arginine beta-naphthylamide
arginine beta-naphthylamide: RN given refers to (S)-isomer. L-arginine 2-naphthylamide : An L-arginine derivative that is the amide obtained by formal condensation of the carboxy group of L-arginine with the amino group of 2-naphthylamine.		2.0810amino acid amide;
L-arginine derivative;
N-(2-naphthyl)carboxamide		chromogenic compound
naproxen
Naproxen: An anti-inflammatory agent with analgesic and antipyretic properties. Both the acid and its sodium salt are used in the treatment of rheumatoid arthritis and other rheumatic or musculoskeletal disorders, dysmenorrhea, and acute gout.. naproxen : A methoxynaphthalene that is 2-methoxynaphthalene substituted by a carboxy ethyl group at position 6. Naproxen is a non-steroidal anti-inflammatory drug commonly used for the reduction of pain, fever, inflammation and stiffness caused by conditions such as osteoarthritis, kidney stones, rheumatoid arthritis, psoriatic arthritis, gout, ankylosing spondylitis, menstrual cramps, tendinitis, bursitis, and for the treatment of primary dysmenorrhea. It works by inhibiting both the COX-1 and COX-2 enzymes.		2.9540methoxynaphthalene;
monocarboxylic acid		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
hydroxyl radical
Hydroxyl Radical: The univalent radical OH. Hydroxyl radical is a potent oxidizing agent.		6.31470oxygen hydride;
oxygen radical;
reactive oxygen species
gallium oxide
gallium oxide: RN given refers to unlabeled cpd		2.0310
camphora
camphora: a component of Guanxingao, a kind of traditional Chinese rubber electuary medicine which is able to either cure or guard against coronary heart disease and angina pectoris. (R)-camphor : The (R)- enantiomer of camphor.		210camphor
tipifarnib
[no description available]		2.0510imidazoles;
monochlorobenzenes;
primary amino compound;
quinolone		antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor
yttria
yttria: molecular formula Y2-O3		2.0510
indium trichloride
indium trichloride: RN given refers to parent cpd		2.0610
sodium percarbonate
sodium percarbonate: RN given refers to unspecified Na salt		2.4920
diallyl sulfone
diallyl sulfone: metabolite of diallyl sulfide		3.110
singlet oxygen
Singlet Oxygen: An excited state of molecular oxygen generated photochemically or chemically. Singlet oxygen reacts with a variety of biological molecules such as NUCLEIC ACIDS; PROTEINS; and LIPIDS; causing oxidative damages.		3.7690chalcogen;
monoatomic oxygen;
nonmetal atom		macronutrient
peroxymonosulfate
peroxymonosulfate: oxidizing agent in prevention of tooth discoloration; RN given refers to ion(2-)		2.4110sulfur oxide;
sulfur oxoanion
fenton's reagent
Fenton's reagent: used for oxidizing sugars & alcohols		3.6590
carbodiimides
Carbodiimides: Compounds with the general formula RN=C=NR, where R is a hydrocarbyl group.. methanediimine : A carbodiimide in which both nitrogens are unsubstituted.		2.0210carbodiimide
4'-demethyldesoxypodophyllotoxin
4'-demethyldesoxypodophyllotoxin: from the root of Bursera tonkinensis Guillaum; structure in first source. 4'-demethyldeoxypodophyllotoxin : A member of the class of furonaphthodioxoles that is (5R,5aR,8aR)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one substituted at position 5 by a 4-hydroxy-3,5-dimethoxyphenyl group.		2.0510furonaphthodioxole;
gamma-lactone;
lignan;
methoxybenzenes;
phenols		antineoplastic agent;
antioxidant;
immunosuppressive agent;
plant metabolite
zinc hematoporphyrin
[no description available]		2.4720
gamma-glu-asp
gamma-glutamylaspartic acid: found in pig brain		210dipeptide
cerous chloride
cerous chloride: RN given refers to cpd with MF CeCl3		2.0410cerium coordination entity
naphthalenesulfonamide
[no description available]		7.0810
lamotrigine 2-n-glucuronide
lamotrigine 2-N-glucuronide: structure given in first source; major metabolite of lamotrigine		2.0710
diethylenetriaminetetraacetic acid
diethylenetriaminetetraacetic acid: structure given in first source		2.0410
palladium(ii) acetate
[no description available]		2.0510
oxoline
naphthalene-1,2,3,4-tetrone : A member of the class of tetralins that is tetralin in which oxo groups replace the hydrogens at positions 1, 2, 3, and 4.		2.0510aromatic ketone;
tetralins		geroprotector
aminopterin
Aminopterin: A folic acid derivative used as a rodenticide that has been shown to be teratogenic.		6.9310dicarboxylic acidEC 1.5.1.3 (dihydrofolate reductase) inhibitor;
mutagen
bathocuproine disulfonate
bathocuproine sulfonate: reagent for copper; RN given refers to parent cpd. bathocuproine disulfonic acid : A phenanthroline that consists of 1,10-phenanthroline bearing two methyl groups at position 2 and 9 as well as two 4-sulfophenyl groups at positions 4 and 7.. copper chelator : A chelator that is any compound containing a ligand (typically organic) which is able to form a bond to a central copper atom at two or more points.		1.9810arenesulfonic acid;
phenanthrolines		chelator
biotin
vitamin B7 : Any member of a group of vitamers that belong to the chemical structural class called biotins that exhibit biological activity against vitamin B7 deficiency. Vitamin B7 deficiency is very rare in individuals who take a normal balanced diet. Foods rich in biotin are egg yolk, liver, cereals, vegetables (spinach, mushrooms) and rice. Symptoms associated with vitamin B7 deficiency include thinning hair, scaly skin rashes around eyes, nose and mouth, and brittle nails. The vitamers include biotin and its ionized and salt forms.		4.0140biotins;
vitamin B7		coenzyme;
cofactor;
Escherichia coli metabolite;
fundamental metabolite;
human metabolite;
mouse metabolite;
nutraceutical;
prosthetic group;
Saccharomyces cerevisiae metabolite
angiotensin ii
Giapreza: injectable form of angiotensin II used to increase blood pressure in adult patients with septic or other distributive shock. Ile(5)-angiotensin II : An angiotensin II that acts on the central nervous system (PDB entry: 1N9V).		5.1931amino acid zwitterion;
angiotensin II		human metabolite
3-n-butyl-4,5-dihydrophthalide
3-N-butyl-4,5-dihydrophthalide: from seeds of Apium graveolens Linn.; RN given refers to (-)-isomer; structure given in first source		2.610
atropine
tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate : A tropane alkaloid that is (1R,5)-8-methyl-8-azabicyclo[3.2.1]octane substituted by a (3-hydroxy-2-phenylpropanoyl)oxy group at position 3.		2.6530
lignin
Lignin: The most abundant natural aromatic organic polymer found in all vascular plants. Lignin together with cellulose and hemicellulose are the major cell wall components of the fibers of all wood and grass species. Lignin is composed of coniferyl, p-coumaryl, and sinapyl alcohols in varying ratios in different plant species. (From Merck Index, 11th ed). lignin : A polyphenylpropanoid derived from three monolignol monomers: trans-p-coumaryl alcohol, coniferol and trans-sinapyl alcohol. There is extensive cross-linking and no defined primary structure.		5.5180
mesotrione
mesotrione: brandname is after the Callistemon (MYRTACEAE) plant it was found in; structure in first source. mesotrione : An aromatic ketone that is cyclohexa-1,3-dione in which one of the hydrogens at position 2 is substituted by a 4-(methanesulfonyl)-2-nitrobenzoyl group.		2.0810aromatic ketone;
beta-triketone;
C-nitro compound;
sulfone		carotenoid biosynthesis inhibitor;
EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor;
environmental contaminant;
herbicide;
xenobiotic
sb 203580
[no description available]		210imidazoles;
monofluorobenzenes;
pyridines;
sulfoxide		EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent
organophosphonates
hydrogenphosphite : A divalent inorganic anion resulting from the removal of a proton from two of the hydroxy groups of phosphorous acid.		5.7361divalent inorganic anion;
phosphite ion
nickel monoxide
[no description available]		2.0410
ceric ammonium nitrate
cerium(IV) ammonium nitrate: a catalyst		2.2510
sch 51048
[no description available]		2.0110
aflatoxin b1
Aflatoxin B1: A potent hepatotoxic and hepatocarcinogenic mycotoxin produced by the Aspergillus flavus group of fungi. It is also mutagenic, teratogenic, and causes immunosuppression in animals. It is found as a contaminant in peanuts, cottonseed meal, corn, and other grains. The mycotoxin requires epoxidation to aflatoxin B1 2,3-oxide for activation. Microsomal monooxygenases biotransform the toxin to the less toxic metabolites aflatoxin M1 and Q1.. aflatoxin B1 : An aflatoxin having a tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene skeleton with oxygen functionality at positions 1, 4 and 11.		2.9140aflatoxin;
aromatic ether;
aromatic ketone		carcinogenic agent;
human metabolite
yh 1885
YH 1885: proton pump inhibitor; structure in first source		2.0410
prizes
acetamiprid: structure in first source. (E)-acetamiprid : The (E)-stereoisomer of acetamiprid.. acetamiprid : A carboxamidine that is acetamidine in which the amino hydrogens are substituted by a (6-chloropyridin-3-yl)methyl and a methyl group while the hydrogen attached to the imino nitrogen is replaced by a cyano group.		2.0610carboxamidine;
monochloropyridine;
nitrile		environmental contaminant;
neonicotinoid insectide;
xenobiotic
dabigatran
Dabigatran: A THROMBIN inhibitor which acts by binding and blocking thrombogenic activity and the prevention of thrombus formation. It is used to reduce the risk of stroke and systemic EMBOLISM in patients with nonvalvular atrial fibrillation.. dabigatran : An aromatic amide obtained by formal condensation of the carboxy group of 2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazole-5-carboxylic acid with the secondary amoino group of N-pyridin-2-yl-beta-alanine. The active metabolite of the prodrug dabigatran etexilate, it acts as an anticoagulant which is used for the prevention of stroke and systemic embolism.		7.1510aromatic amide;
benzimidazoles;
beta-alanine derivative;
carboxamidine;
pyridines		anticoagulant;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
EC 3.4.21.5 (thrombin) inhibitor
lenalidomide
[no description available]		4.811aromatic amine;
dicarboximide;
isoindoles;
piperidones		angiogenesis inhibitor;
antineoplastic agent;
immunomodulator
cholic acid
Cholic Acid: A major primary bile acid produced in the liver and usually conjugated with glycine or taurine. It facilitates fat absorption and cholesterol excretion.. cholic acid : A bile acid that is 5beta-cholan-24-oic acid bearing three alpha-hydroxy substituents at position 3, 7 and 12.		2.432012alpha-hydroxy steroid;
3alpha-hydroxy steroid;
7alpha-hydroxy steroid;
bile acid;
C24-steroid;
trihydroxy-5beta-cholanic acid		human metabolite;
mouse metabolite
deoxycholic acid
Deoxycholic Acid: A bile acid formed by bacterial action from cholate. It is usually conjugated with glycine or taurine. Deoxycholic acid acts as a detergent to solubilize fats for intestinal absorption, is reabsorbed itself, and is used as a choleretic and detergent.. deoxycholic acid : A bile acid that is 5beta-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 12 respectively.		7.4320bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid		human blood serum metabolite
delrin
delrin: linear polyoxymethylene type acetal resin made by polymerization of formaldehyde; RN refers to multi-polymer		2.1310
cortisone
[no description available]		9.9212011-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		human metabolite;
mouse metabolite
3-nitrotyrosine
3-nitrotyrosine: RN given refers to parent cpd without isomeric designation. 3-nitrotyrosine : A nitrotyrosine comprising tyrosine having a nitro group at the 3-position on the phenyl ring.		7.44202-nitrophenols;
C-nitro compound;
nitrotyrosine;
non-proteinogenic alpha-amino acid
5-benzyluracil
5-benzyluracil: structure in first source		2.0810
5-hydroxymethylfurfural
5-hydroxymethylfurfural: has antisickling activity; HMF is the causative component in honey that affects the presystemic metabolism and pharmacokinetics of GZ in-vivo. 5-hydroxymethylfurfural : A member of the class of furans that is furan which is substituted at positions 2 and 5 by formyl and hydroxymethyl substituents, respectively. Virtually absent from fresh foods, it is naturally generated in sugar-containing foods during storage, and especially by drying or cooking. It is the causative component in honey that affects the presystemic metabolism and pharmacokinetics of GZ in-vivo.		2.0110arenecarbaldehyde;
furans;
primary alcohol		indicator;
Maillard reaction product
sodium sulfide
sodium sulfide: see also record for sodium bisulfide; actisoufre is the sodium sulfide component of sulfur-containing thermal springs which is also found in Saccharomyces cerevisiae		2.0610
4-methylquinazoline
4-methylquinazoline: isolated from Nasonia vitripennis; structure in first source		2.0810
2-chlorobiphenyl
2-chlorobiphenyl: RN from Toxlit. 2-chlorobiphenyl : A monochlorobiphenyl carrying a single chloro substituent at position 2.. monochlorobiphenyl : A chlorobiphenyl carrying a single chloro substituent at unspecified position.. chlorobiphenyl : A chloroarene that consists of a biphenyl skeleton substituted by one or more chloro groups.		2.0410monochlorobiphenyl
benzofurans
Benzofurans: Compounds that contain a BENZENE ring fused to a furan ring.		5.39180
noscapine
Noscapine: A naturally occurring opium alkaloid that is a centrally acting antitussive agent.. (-)-noscapine : A benzylisoquinoline alkaloid that is 1,2,3,4-tetrahydroisoquinoline which is substituted by a 4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl group at position 1, a methylenedioxy group at positions 6-7 and a methoxy group at position 8. Obtained from plants of the Papaveraceae family, it lacks significant painkilling properties and is primarily used for its antitussive (cough-suppressing) effects.		1.9410aromatic ether;
benzylisoquinoline alkaloid;
cyclic acetal;
isobenzofuranone;
organic heterobicyclic compound;
organic heterotricyclic compound;
tertiary amino compound		antineoplastic agent;
antitussive;
apoptosis inducer;
plant metabolite
wortmannin
[no description available]		2.0310acetate ester;
cyclic ketone;
delta-lactone;
organic heteropentacyclic compound		anticoronaviral agent;
antineoplastic agent;
autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector;
Penicillium metabolite;
radiosensitizing agent
2-oxindole
2-oxindole: RN given refers to parent cpd; structure. indolin-2-one : An indolinone carrying an oxo group at position 2.		2.5220gamma-lactam;
indolinone
o-iodoxybenzoic acid
o-iodoxybenzoic acid: structure in first source. 1-hydroxy-1,3-dioxobenziodoxole : A benziodoxole compound having hydroxy and oxo substituents at the 1-position and an oxo substituent at the 3-position. It is a mild and efficient hypervalent iodine synthetic reagent used to carry out several selective oxidation reactions.		2.0210benziodoxoleEC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
oxidising agent
acronine
Acronine: A pyrano-acridone alkaloid found in RUTACEAE plants.. acronycine : An alkaloid antineoplastic agent isolated from Acronychia baueri.		3.1210acridone derivatives;
alkaloid		antineoplastic agent;
metabolite
erianin
Erianin: from Dendrobium chrysotoxum; structure in first source		2.0710
murrayafoline a
murrayafoline A: structure in first source		210
bortezomib
[no description available]		4.811amino acid amide;
L-phenylalanine derivative;
pyrazines		antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor
dihydropyridines
Dihydropyridines: Pyridine moieties which are partially saturated by the addition of two hydrogen atoms in any position.		7.7130
methylmercuric chloride
methylmercuric chloride: RN given refers to unlabeled cpd		2.0110chlorine molecular entity;
mercury coordination entity;
one-carbon compound
permanganate
[no description available]		2.7830manganese oxoacid
carboplatin
[no description available]		2.1510
lithium chloride
Lithium Chloride: A salt of lithium that has been used experimentally as an immunomodulator.. lithium chloride : A metal chloride salt with a Li(+) counterion.		2.9240inorganic chloride;
lithium salt		antimanic drug;
geroprotector
glycogen
glycogen : A polydisperse, highly branched glucan composed of chains of D-glucopyranose residues in alpha(1->4) glycosidic linkage, joined together by alpha(1->6) glycosidic linkages. A small number of alpha(1->3) glycosidic linkages and some cumulative alpha(1->6) links also may occur. The branches in glycogen typically contain 8 to 12 glucose residues.		3.260
arabinose
[no description available]		2.3720L-arabinoseEscherichia coli metabolite;
mouse metabolite
n-acetylneuraminic acid
N-Acetylneuraminic Acid: An N-acyl derivative of neuraminic acid. N-acetylneuraminic acid occurs in many polysaccharides, glycoproteins, and glycolipids in animals and bacteria. (From Dorland, 28th ed, p1518). N-acetylneuraminic acid : An N-acylneuraminic acid where the N-acyl group is specified as acetyl.		2.4820N-acetylneuraminic acidsantioxidant;
bacterial metabolite;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
human metabolite;
mouse metabolite
fibrin
Fibrin: A protein derived from FIBRINOGEN in the presence of THROMBIN, which forms part of the blood clot.		1.9410peptide
bradykinin
[no description available]		2.4220oligopeptidehuman blood serum metabolite;
vasodilator agent
glucosamine
D-glucosamine : An amino sugar whose structure comprises D-glucose having an amino substituent at position 2.. 2-amino-2-deoxy-D-glucopyranose : A D-glucosamine whose structure comprises D-glucopyranose having an amino substituent at position 2.		2.0210D-glucosamineEscherichia coli metabolite;
geroprotector;
mouse metabolite
mevalonic acid
Mevalonic Acid: A dihydroxy monocarboxylic acid and precursor in the biosynthetic pathway known as the mevalonate pathway, which produces terpenes and steroids that are vital for diverse cellular functions.. mevalonic acid : A racemate composed of equimolar amounts of (R)- and (S)-mevalonic acid.. (R)-mevalonic acid : The (R)-enantiomer of mevalonic acid.		1.94103,5-dihydroxy-3-methylpentanoic acid
raffinose
Raffinose: A trisaccharide occurring in Australian manna (from Eucalyptus spp, Myrtaceae) and in cottonseed meal.. raffinose : A trisaccharide composed of alpha-D-galactopyranose, alpha-D-glucopyranose and beta-D-fructofuranose joined in sequence by 1->6 and 1<->2 glycosidic linkages, respectively.		2.4220raffinose family oligosaccharide;
trisaccharide		mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
oxytocin
Oxytocin: A nonapeptide hormone released from the neurohypophysis (PITUITARY GLAND, POSTERIOR). It differs from VASOPRESSIN by two amino acids at residues 3 and 8. Oxytocin acts on SMOOTH MUSCLE CELLS, such as causing UTERINE CONTRACTIONS and MILK EJECTION.. oxytocin : A cyclic nonapeptide hormone with amino acid sequence CYIQNCPLG that also acts as a neurotransmitter in the brain; the principal uterine-contracting and milk-ejecting hormone of the posterior pituitary. Together with the neuropeptide vasopressin, it is believed to influence social cognition and behaviour.		2.2510heterodetic cyclic peptide;
peptide hormone		oxytocic;
vasodilator agent
dopaquinone
[no description available]		2.04101,2-benzoquinones;
amino acid zwitterion;
L-phenylalanine derivative		human metabolite;
mouse metabolite
7-dehydrocholesterol
[no description available]		2.04103beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
cholestanoid;
Delta(5),Delta(7)-sterol		human metabolite;
mouse metabolite
ouabain
Ouabain: A cardioactive glycoside consisting of rhamnose and ouabagenin, obtained from the seeds of Strophanthus gratus and other plants of the Apocynaceae; used like DIGITALIS. It is commonly used in cell biological studies as an inhibitor of the NA(+)-K(+)-EXCHANGING ATPASE.. cardiac glycoside : Steroid lactones containing sugar residues that act on the contractile force of the cardiac muscles.. ouabain : A steroid hormone that is a multi-hydroxylated alpha-L-rhamnosyl cardenoloide. It binds to and inhibits the plasma membrane Na(+)/K(+)-ATPase (sodium pump). It has been isolated naturally from Strophanthus gratus.		2.362011alpha-hydroxy steroid;
14beta-hydroxy steroid;
5beta-hydroxy steroid;
alpha-L-rhamnoside;
cardenolide glycoside;
steroid hormone		anti-arrhythmia drug;
cardiotonic drug;
EC 2.3.3.1 [citrate (Si)-synthase] inhibitor;
EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
ion transport inhibitor;
plant metabolite
tartaric acid
tartaric acid: RN given refers to cpd with unspecified isomeric designation. D-tartaric acid : The D-enantiomer of tartaric acid.		2.0810tartaric acidEscherichia coli metabolite
n-glycolylneuraminic acid
N-glycolylneuraminic acid: RN given refers to (all-D)-isomer		2.2110N-acylneuraminic acid
cortodoxone
Cortodoxone: 17,21-Dihydroxypregn-4-ene-3,20-dione. A 17-hydroxycorticosteroid with glucocorticoid and anti-inflammatory activities.. 11-deoxycortisol : A deoxycortisol that is cortisol in which the hydroxy group at position 11 has been replaced by a hydrogen.		2.0210deoxycortisol;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		human metabolite;
mouse metabolite
(+)-limonene
(4R)-limonene : An optically active form of limonene having (4R)-configuration.		210limoneneplant metabolite
strychnine
Strychnine: An alkaloid found in the seeds of STRYCHNOS NUX-VOMICA. It is a competitive antagonist at glycine receptors and thus a convulsant. It has been used as an analeptic, in the treatment of nonketotic hyperglycinemia and sleep apnea, and as a rat poison.. strychnine : A monoterpenoid indole alkaloid that is strychnidine bearing a keto substituent at the 10-position.		4.1350monoterpenoid indole alkaloid;
organic heteroheptacyclic compound		avicide;
cholinergic antagonist;
glycine receptor antagonist;
neurotransmitter agent;
rodenticide
quinidine
Quinidine: An optical isomer of quinine, extracted from the bark of the CHINCHONA tree and similar plant species. This alkaloid dampens the excitability of cardiac and skeletal muscles by blocking sodium and potassium currents across cellular membranes. It prolongs cellular ACTION POTENTIALS, and decreases automaticity. Quinidine also blocks muscarinic and alpha-adrenergic neurotransmission.. quinidine : A cinchona alkaloid consisting of cinchonine with the hydrogen at the 6-position of the quinoline ring substituted by methoxy.		3.260cinchona alkaloidalpha-adrenergic antagonist;
anti-arrhythmia drug;
antimalarial;
drug allergen;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
muscarinic antagonist;
P450 inhibitor;
potassium channel blocker;
sodium channel blocker
griseofulvin
Griseofulvin: An antifungal agent used in the treatment of TINEA infections.. griseofulvin : An oxaspiro compound produced by Penicillium griseofulvum. It is used by mouth as an antifungal drug for infections involving the scalp, hair, nails and skin that do not respond to topical treatment.		8.06501-benzofurans;
antibiotic antifungal drug;
benzofuran antifungal drug;
organochlorine compound;
oxaspiro compound		antibacterial agent;
Penicillium metabolite
digitoxin
Digitoxin: A cardiac glycoside sometimes used in place of DIGOXIN. It has a longer half-life than digoxin; toxic effects, which are similar to those of digoxin, are longer lasting. (From Martindale, The Extra Pharmacopoeia, 30th ed, p665). digitoxin : A cardenolide glycoside in which the 3beta-hydroxy group of digitoxigenin carries a 2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl trisaccharide chain.		1.9410cardenolide glycosideEC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor
pentazocine
Pentazocine: The first mixed agonist-antagonist analgesic to be marketed. It is an agonist at the kappa and sigma opioid receptors and has a weak antagonist action at the mu receptor. (From AMA Drug Evaluations Annual, 1991, p97)		1.9510benzazocine
pancratistatin
pancratistatin: an isocarbostyril from Amaryllidaceae		7.1510citraconoyl group
brucine
brucine: was heading 1991-94 (see under STRYCHNINE 1975-90); DIMETHOXYSTRYCHNINE was see BRUCINE 1975-94; use STRYCHNINE to search BRUCINE 1975-94; very toxic alkaloid from Nux vomica similar to strychnine; used as reagent in analytical chemistry; was MH 1991-94		6.9210monoterpenoid indole alkaloid;
organic heteroheptacyclic compound
lignans
Lignans: A class of dibenzylbutane derivatives which occurs in higher plants and in fluids (bile, serum, urine, etc.) in man and other animals. These compounds, which have a potential anti-cancer role, can be synthesized in vitro by human fecal flora. (From Singleton & Sainsbury, Dictionary of Microbiology and Molecular Biology, 2d ed)		2.4420
7-deoxypancratistatin
7-deoxypancratistatin: a phytogenic antineoplastic agent; structure in first source		2.1510phenanthridines
betadex
beta-Cyclodextrins: Cyclic GLUCANS consisting of seven (7) glucopyranose units linked by 1,4-glycosidic bonds.		3.84110cyclodextrin
e-z cinnamic acid
cinnamic acid : A monocarboxylic acid that consists of acrylic acid bearing a phenyl substituent at the 3-position. It is found in Cinnamomum cassia.. trans-cinnamic acid : The E (trans) isomer of cinnamic acid		2.7830cinnamic acidplant metabolite
trichostatin a
trichostatin A: chelates zinc ion in the active site of histone deacetylases, resulting in preventing histone unpacking so DNA is less available for transcription; do not confuse with TRICHOSANTHIN which is a protein; found in STREPTOMYCES		8.3760antibiotic antifungal agent;
hydroxamic acid;
trichostatin		bacterial metabolite;
EC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector
tretinoin
Tretinoin: An important regulator of GENE EXPRESSION during growth and development, and in NEOPLASMS. Tretinoin, also known as retinoic acid and derived from maternal VITAMIN A, is essential for normal GROWTH; and EMBRYONIC DEVELOPMENT. An excess of tretinoin can be teratogenic. It is used in the treatment of PSORIASIS; ACNE VULGARIS; and several other SKIN DISEASES. It has also been approved for use in promyelocytic leukemia (LEUKEMIA, PROMYELOCYTIC, ACUTE).. retinoic acid : A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraenoic acid substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified).. all-trans-retinoic acid : A retinoic acid in which all four exocyclic double bonds have E- (trans-) geometry.		1.9910retinoic acid;
vitamin A		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
AP-1 antagonist;
human metabolite;
keratolytic drug;
retinoic acid receptor agonist;
retinoid X receptor agonist;
signalling molecule
arachidonic acid
icosa-5,8,11,14-tetraenoic acid : Any icosatetraenoic acid with the double bonds at positions 5, 8, 11 and 14.. arachidonate : A long-chain fatty acid anion resulting from the removal of a proton from the carboxy group of arachidonic acid.		2.1510icosa-5,8,11,14-tetraenoic acid;
long-chain fatty acid;
omega-6 fatty acid		Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
human metabolite;
mouse metabolite
alpha-cyclodextrin
alpha-cyclodextrin : A cycloamylose composed of six alpha-(1->4) linked D-glucopyranose units.		2.0510cyclodextrin
fumaric acid
fumaric acid: see also record for ferrous fumarate; use FUMARATES for general fumaric acid esters. fumaric acid : A butenedioic acid in which the C=C double bond has E geometry. It is an intermediate metabolite in the citric acid cycle.		3.5320butenedioic acidfood acidity regulator;
fundamental metabolite;
geroprotector
resveratrol
trans-resveratrol : A resveratrol in which the double bond has E configuration.		7.7620resveratrolantioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger
retinol
Vitamin A: Retinol and derivatives of retinol that play an essential role in metabolic functioning of the retina, the growth of and differentiation of epithelial tissue, the growth of bone, reproduction, and the immune response. Dietary vitamin A is derived from a variety of CAROTENOIDS found in plants. It is enriched in the liver, egg yolks, and the fat component of dairy products.. vitamin A : Any member of a group of fat-soluble retinoids produced via metabolism of provitamin A carotenoids that exhibit biological activity against vitamin A deficiency. Vitamin A is involved in immune function, vision, reproduction, and cellular communication.. all-trans-retinol : A retinol in which all four exocyclic double bonds have E- (trans-) geometry.. retinol : A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraen-1-ol substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified).		3.74110retinol;
vitamin A		human metabolite;
mouse metabolite;
plant metabolite
cyanoginosin lr
cyanoginosin LR: cyclic heptapeptide from cyanobacterium Microcystis aeruginosa. microcystin-LR : A microcystin consisting of D-alanyl, L-leucyl, (3S)-3-methyl-D-beta-aspartyl,L-arginyl, 2S,3S,4E,6E,8S,9S)-3-amino-4,5,6,7-tetradehydro-9-methoxy-2,6,8-trimethyl-10-phenyldecanoyl, D-gamma-glutamyl, and 2,3-didehydro-N-methylalanyl residues joined into a 25-membered macrocycle. Produced by the cyanobacterium Microcystis aeruginosa, it is the most studied of the microcystins.		2.610microcystinbacterial metabolite;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
environmental contaminant;
xenobiotic
palmitoleic acid
hexadecenoate : A long-chain unsaturated fatty acid anion that is the conjugate base of hexadecenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.		2.0810hexadec-9-enoic acidalgal metabolite;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
human blood serum metabolite
oleic acid
Oleic Acid: An unsaturated fatty acid that is the most widely distributed and abundant fatty acid in nature. It is used commercially in the preparation of oleates and lotions, and as a pharmaceutical solvent. (Stedman, 26th ed). oleic acid : An octadec-9-enoic acid in which the double bond at C-9 has Z (cis) stereochemistry.		8.2560octadec-9-enoic acidantioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent
ferulic acid
ferulate : A monocarboxylic acid anion obtained by the deprotonation of the carboxy group of ferulic acid.		2.4420ferulic acidsanti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
MALDI matrix material;
plant metabolite
geranyl pyrophosphate
geranyl pyrophosphate: RN given refers to (E)-isomer. geranyl diphosphate : The diphosphate of the polyprenol compound geraniol.		2.0810polyprenyl diphosphateEscherichia coli metabolite;
mouse metabolite
cocaine
Cocaine: An alkaloid ester extracted from the leaves of plants including coca. It is a local anesthetic and vasoconstrictor and is clinically used for that purpose, particularly in the eye, ear, nose, and throat. It also has powerful central nervous system effects similar to the amphetamines and is a drug of abuse. Cocaine, like amphetamines, acts by multiple mechanisms on brain catecholaminergic neurons; the mechanism of its reinforcing effects is thought to involve inhibition of dopamine uptake.. cocaine : A tropane alkaloid obtained from leaves of the South American shrub Erythroxylon coca.		6.81480benzoate ester;
methyl ester;
tertiary amino compound;
tropane alkaloid		adrenergic uptake inhibitor;
central nervous system stimulant;
dopamine uptake inhibitor;
environmental contaminant;
local anaesthetic;
mouse metabolite;
plant metabolite;
serotonin uptake inhibitor;
sodium channel blocker;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
zithromax
Azithromycin: A semi-synthetic macrolide antibiotic structurally related to ERYTHROMYCIN. It has been used in the treatment of Mycobacterium avium intracellulare infections, toxoplasmosis, and cryptosporidiosis.. azithromycin : A macrolide antibiotic useful for the treatment of bacterial infections.		2.0410macrolide antibioticantibacterial drug;
environmental contaminant;
xenobiotic
phenylalaninol
phenylalaninol: inhibits intestinal absorption of phenylalanine; RN given refers to cpd with unspecified stereochemistry. L-phenylalaninol : An amino alcohol resulting from the formal reduction of the carboxy group of L-phenylalanine to the corresponding alcohol.		2.0310amino alcohol;
amphetamines;
primary alcohol;
primary amino compound
2-butenal
crotonaldehyde : An enal consisting of propene having a formyl group at the 1-position.		4.9542enal
diethylstilbestrol
Diethylstilbestrol: A synthetic nonsteroidal estrogen used in the treatment of menopausal and postmenopausal disorders. It was also used formerly as a growth promoter in animals. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), diethylstilbestrol has been listed as a known carcinogen. (Merck, 11th ed). diethylstilbestrol : An olefinic compound that is trans-hex-3-ene in which the hydrogens at positions 3 and 4 have been replaced by p-hydroxyphenyl groups.		4.4570olefinic compound;
polyphenol		antifungal agent;
antineoplastic agent;
autophagy inducer;
calcium channel blocker;
carcinogenic agent;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
endocrine disruptor;
xenoestrogen
benzene-1,3,5-tricarboxamide
benzene-1,3,5-tricarboxamide: structure in first source		3.5160
imidazolidines
[no description available]		2.0710azacycloalkane;
imidazolidines;
saturated organic heteromonocyclic parent
decitabine
[no description available]		2.79302'-deoxyribonucleoside
sm 8668
Sch 39304: Sch 42427 is the active entantiomer of the antifungal agent Sch 39304 which consists of Sch 42426 & Sch 42427; Sch 42426, the (S,S)-isomer, is inactive		1.9810
cefamandole
Cefamandole: Semisynthetic wide-spectrum cephalosporin with prolonged action, probably due to beta-lactamase resistance. It is used also as the nafate.. cefamandole : A cephalosporin compound having (R)-mandelamido and N-methylthiotetrazole side-groups.		2.0810cephalosporin;
semisynthetic derivative		antibacterial drug
dactinomycin
Dactinomycin: A compound composed of a two CYCLIC PEPTIDES attached to a phenoxazine that is derived from STREPTOMYCES parvullus. It binds to DNA and inhibits RNA synthesis (transcription), with chain elongation more sensitive than initiation, termination, or release. As a result of impaired mRNA production, protein synthesis also declines after dactinomycin therapy. (From AMA Drug Evaluations Annual, 1993, p2015)		1.9410actinomycinmutagen
gamma-sitosterol
clionasterol : A member of the class of phytosterols that is poriferast-5-ene carrying a beta-hydroxy substituent at position 3.		1.93103beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
phytosterols		marine metabolite;
plant metabolite
melphalan
Melphalan: An alkylating nitrogen mustard that is used as an antineoplastic in the form of the levo isomer - MELPHALAN, the racemic mixture - MERPHALAN, and the dextro isomer - MEDPHALAN; toxic to bone marrow, but little vesicant action; potential carcinogen.. melphalan : A phenylalanine derivative comprising L-phenylalanine having [bis(2-chloroethyl)amino group at the 4-position on the phenyl ring.		5.2870L-phenylalanine derivative;
nitrogen mustard;
non-proteinogenic L-alpha-amino acid;
organochlorine compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent
shikonin
shikonin: a naphthazarin; has antineoplastic and angiogenesis inhibiting activities		7.4110hydroxy-1,4-naphthoquinone
riboflavin
vitamin B2 : Any member of a group of vitamers that belong to the chemical structural class called flavins that exhibit biological activity against vitamin B2 deficiency. Symptoms associated with vitamin B2 deficiency include glossitis, seborrhea, angular stomaitis, cheilosis and photophobia. The vitamers include riboflavin and its phosphate derivatives (and includes their salt, ionised and hydrate forms).		8.82120flavin;
vitamin B2		anti-inflammatory agent;
antioxidant;
cofactor;
Escherichia coli metabolite;
food colouring;
fundamental metabolite;
human urinary metabolite;
mouse metabolite;
photosensitizing agent;
plant metabolite
1,2-bis(diphenylphosphino)benzene
1,2-bis(diphenylphosphino)benzene: structure in first source		2.0410
potassium permanganate
Potassium Permanganate: Permanganic acid (HMnO4), potassium salt. A highly oxidative, water-soluble compound with purple crystals, and a sweet taste. (From McGraw-Hill Dictionary of Scientific and Technical Information, 4th ed)		2.8740
sodium bicarbonate
Sodium Bicarbonate: A white, crystalline powder that is commonly used as a pH buffering agent, an electrolyte replenisher, systemic alkalizer and in topical cleansing solutions.		2.4110one-carbon compound;
organic sodium salt		antacid;
food anticaking agent
sodium benzoate
Sodium Benzoate: The sodium salt of BENZOIC ACID. It is used as an antifungal preservative in pharmaceutical preparations and foods. It may also be used as a test for liver function.. sodium benzoate : An organic sodium salt resulting from the replacement of the proton from the carboxy group of benzoic acid by a sodium ion.		2.7430organic sodium saltalgal metabolite;
antimicrobial food preservative;
drug allergen;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
human xenobiotic metabolite;
plant metabolite
zn(ii)-phthalocyanine
[no description available]		2.0410metallophthalocyanine;
zinc tetrapyrrole		fluorochrome
triacetoneamine-n-oxyl
Triacetoneamine-N-Oxyl: Cyclic N-oxide radical functioning as a spin label and radiation-sensitizing agent.. 4-oxo-TEMPO : A member of the class of aminoxyls that is TEMPO carrying an oxo group at position 4.		1.9710aminoxyls;
piperidones		radical scavenger
6-hydroxyindole
6-hydroxyindole: structure in first source		6.9310
4-nitrophenyl valerate
4-nitrophenyl valerate: structure in first source		1.9510
bromochloroacetic acid
Keratins: A class of fibrous proteins or scleroproteins that represents the principal constituent of EPIDERMIS; HAIR; NAILS; horny tissues, and the organic matrix of tooth ENAMEL. Two major conformational groups have been characterized, alpha-keratin, whose peptide backbone forms a coiled-coil alpha helical structure consisting of TYPE I KERATIN and a TYPE II KERATIN, and beta-keratin, whose backbone forms a zigzag or pleated sheet structure. alpha-Keratins have been classified into at least 20 subtypes. In addition multiple isoforms of subtypes have been found which may be due to GENE DUPLICATION.. bromochloroacetic acid : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by bromine while a second is replaced by chlorine. A low-melting (27.5-31.5degreeC), hygroscopic crystalline solid, it can be formed during the disinfection (by chlorination) of water that contains bromide ions and organic matter, so can occur in drinking water as a byproduct of the disinfection process.		2.04102-bromocarboxylic acid;
monocarboxylic acid;
organochlorine compound
11-mercaptoundecanoic acid
[no description available]		2.1110
calix(4)arene
calix(4)arene: a cyclophane consisting of four phenolic units linked by methylene groups; structure in first source		3.1550
4-nitrophenyl hexanoate
[no description available]		1.9510
diisononyl phthalate
diisononyl phthalate: dielectric (electric insulating) fluid. diisononyl phthalate : The diisononyl ester of benzene-1,2-dicarboxylic acid.		2.2110diester;
phthalate ester		plasticiser
chavibetol
chavibetol: isolated from essential oil of Pimenta pseudocaryophyllus leaf; structure in first source		2.2510methoxybenzenes;
phenols
alpha-asarone
asarone: structure in Merck Index, 9th ed, #847. asarone : A phenylpropanoid that is benzene substituted by methoxy groups at positions 1, 2 and 4 and a propen-1-yl group at position 5. It has been isolated from Acorus.. alpha-asarone : The trans-isomer of asarone.		1.9410asaroneanticonvulsant;
GABA modulator
cinnamaldehyde
3-phenylprop-2-enal : A member of the class of cinnamaldehydes that is prop-2-enal in which a hydrogen at position 3 has been replaced by a phenyl group. The configuration of the double bond is not specified; the name "cinnamaldehyde" is widely used to refer to the E (trans) isomer.. (E)-cinnamaldehyde : The E (trans) stereoisomer of cinnamaldehyde, the parent of the class of cinnamaldehydes.		2.03103-phenylprop-2-enal;
cinnamaldehydes		antifungal agent;
EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor;
flavouring agent;
hypoglycemic agent;
plant metabolite;
sensitiser;
vasodilator agent
elaidic acid
[no description available]		1.9910octadec-9-enoic acidfood component
3-coumaric acid
3-coumaric acid: RN given refers to cpd without isomeric designation in Chemline. trans-3-coumaric acid : A 3-coumaric acid that is phenol substituted with trans-2-propenoic acid at position C-3.. 3-coumaric acid : A monohydroxycinnamic acid in which the hydroxy substituent is located at C-3 of the phenyl ring.		2.05103-coumaric acid
trans-4-coumaric acid
hydroxycinnamic acid : Any member of the class of cinnamic acids carrying one or more hydroxy substituents.. trans-4-coumaric acid : The trans-isomer of 4-coumaric acid.. 4-coumaric acid : A coumaric acid in which the hydroxy substituent is located at C-4 of the phenyl ring.		2.05104-coumaric acidfood component;
mouse metabolite;
plant metabolite
anethole
anethole: an isomer of estragole; structurally similar to CAPSAICIN; has some neurological and insecticidal and skin absorption effects; RN given refers to unspecified stereoisomer. anethole : A monomethoxybenzene that is methoxybenzene substituted by a prop-1-en-1-yl group at position 4.. trans-anethole : The trans-stereoisomer of anethole.		1.9310anetholeflavouring agent
glycosides
[no description available]		4.77100
chalcone
trans-chalcone : The trans-isomer of chalcone.		2.4420chalconeEC 3.2.1.1 (alpha-amylase) inhibitor
isomethyleugenol
Methylation: Addition of methyl groups. In histo-chemistry methylation is used to esterify carboxyl groups and remove sulfate groups by treating tissue sections with hot methanol in the presence of hydrochloric acid. (From Stedman, 25th ed)		5.03400isomethyleugenol
1,3,5,7-cyclooctatetraene
1,3,5,7-cyclooctatetraene: structure in first source. [8]annulene : An antiaromatic annulene that is cyclooctane having four double bonds at positions 1, 3, 5 and 7.		2.830
phenyllithium
phenyllithium: structure in first source		2.0610
squalene
Addavax: an oil-water nanoemulsion and adjuvant containing squalene, Tween 80, and sorbitane trioleate		2.3420triterpenehuman metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
stilbenes
Stilbenes: Organic compounds that contain 1,2-diphenylethylene as a functional group.. trans-stilbene : The trans-isomer of stilbene.		3.2960stilbene
2'-hydroxychalcone
2'-hydroxychalcone : A member of the class of chalcones that is trans-chalcone substituted by a hydroxy group at position 2'.		2.0110chalcones;
phenols		anti-inflammatory agent
sorbic acid
Sorbic Acid: Mold and yeast inhibitor. Used as a fungistatic agent for foods, especially cheeses.. (2E,4E)-hexa-2,4-dienoic acid : A sorbic acid having trans-double bonds at positions 2 and 4; a food preservative that can induce cutaneous vasodilation and stinging upon topical application to humans. It is the most thermodynamically stable of the four possible geometric isomers possible, as well as the one with the highest antimicrobial activity.. sorbic acid : A hexadienoic acid with double bonds at C-2 and C-4; it has four geometrical isomers, of which the trans,trans-form is naturally occurring.		12.221752alpha,beta-unsaturated monocarboxylic acid;
sorbic acid
flavin-adenine dinucleotide
Flavin-Adenine Dinucleotide: A condensation product of riboflavin and adenosine diphosphate. The coenzyme of various aerobic dehydrogenases, e.g., D-amino acid oxidase and L-amino acid oxidase. (Lehninger, Principles of Biochemistry, 1982, p972)		2.9140flavin adenine dinucleotide;
vitamin B2		cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
prosthetic group
pyrophosphate
Diphosphates: Inorganic salts of phosphoric acid that contain two phosphate groups.		2.3820diphosphate ion
polidocanol
Polidocanol: An alkyl polyglycol ether of LAURYL ALCOHOL, chemically defined as an alcohol ethoxylate having an average alkyl chain of 12–14 carbon atoms, and an ethylene oxide chain of 9 ethylene oxide units. It is used as a detergent, and medically as a local anesthetic, and as a sclerosing agent for the treatment of ESOPHAGEAL AND GASTRIC VARICES and VARICOSE VEINS.. polidocanol : A hydroxypolyether that is nonaethylene glycol in which one of the terminal hydroxy functions is substituted by a lauryl (dodecyl) group.		2.0210hydroxypolyetherhepatotoxic agent;
nonionic surfactant;
sclerotherapy agent
dithizone
Dithizone: Chelating agent used for heavy metal poisoning and assay. It causes diabetes.		1.9310
sesquiterpenes
[no description available]		2.4220
chlorprothixene
Chlorprothixene: A thioxanthine with effects similar to the phenothiazine antipsychotics.. (Z)-chlorprothixene : A chlorprothixene in which the double bond adopts a (Z)-configuration.		1.9610chlorprothixene
mercaptopurine
Mercaptopurine: An antimetabolite antineoplastic agent with immunosuppressant properties. It interferes with nucleic acid synthesis by inhibiting purine metabolism and is used, usually in combination with other drugs, in the treatment of or in remission maintenance programs for leukemia.. purine-6-thiol : A thiol that is the tautomer of mercaptopurine.. mercaptopurine : A member of the class of purines that is 6,7-dihydro-1H-purine carrying a thione group at position 6. An adenine analogue, it is used in the treatment of acute lymphocytic leukemia (ALL), chronic myeloid leukemia (CML), Crohn's disease, and ulcerative colitis.		2.6430aryl thiol;
purines;
thiocarbonyl compound		anticoronaviral agent;
antimetabolite;
antineoplastic agent
methylthiouracil
Methylthiouracil: A thiourea antithyroid agent that inhibits the synthesis of thyroid hormone. It is used in the treatment of hyperthyroidism.		1.9310pyrimidone
phenylthiourea
Phenylthiourea: Phenylthiourea is a THIOUREA derivative containing a phenyl ring. Depending on their genetic makeup, humans can find it either bitter-tasting or tasteless.. N-phenylthiourea : A member of the class of thioureas that is thiourea in which one of the hydrogens is replaced by a phenyl group. Depending on their genetic makeup, humans find it either very bitter-tasting or tasteless. This unusual property resulted in N-phenylthiourea being used in paternity testing prior to the advent of DNA testing.		1.9510thioureasEC 1.14.18.1 (tyrosinase) inhibitor
caffeic acid
trans-caffeic acid : The trans-isomer of caffeic acid.		2.0510caffeic acidgeroprotector;
mouse metabolite
captax
captax: RN given refers to parent cpd. 1,3-benzothiazole-2-thiol : 1,3-Benzothiazole substituted at the 2-position with a sulfanyl group.		2.0310aryl thiol;
benzothiazoles		carcinogenic agent;
metabolite
cotinine
Cotinine: The N-glucuronide conjugate of cotinine is a major urinary metabolite of NICOTINE. It thus serves as a biomarker of exposure to tobacco SMOKING. It has CNS stimulating properties.. (-)-cotinine : An N-alkylpyrrolidine that consists of N-methylpyrrolidinone bearing a pyridin-3-yl substituent at position C-5 (the 5S-enantiomer). It is an alkaloid commonly found in Nicotiana tabacum.		5.28160N-alkylpyrrolidine;
pyridines;
pyrrolidin-2-ones;
pyrrolidine alkaloid		antidepressant;
biomarker;
human xenobiotic metabolite;
plant metabolite
dieldrin
Dieldrin: An organochlorine insecticide whose use has been cancelled or suspended in the United States. It has been used to control locusts, tropical disease vectors, in termite control by direct soil injection, and non-food seed and plant treatment. (From HSDB). dieldrin : An organochlorine compound resulting from the epoxidation of the double bond of aldrin. It is the active metabolite of the proinsecticde aldrin.		1.9510epoxide;
organochlorine compound;
organochlorine insecticide		carcinogenic agent;
xenobiotic
curcumin
Curcumin: A yellow-orange dye obtained from tumeric, the powdered root of CURCUMA longa. It is used in the preparation of curcuma paper and the detection of boron. Curcumin appears to possess a spectrum of pharmacological properties, due primarily to its inhibitory effects on metabolic enzymes.. curcumin : A beta-diketone that is methane in which two of the hydrogens are substituted by feruloyl groups. A natural dyestuff found in the root of Curcuma longa.		3.3760aromatic ether;
beta-diketone;
diarylheptanoid;
enone;
polyphenol		anti-inflammatory agent;
antifungal agent;
antineoplastic agent;
biological pigment;
contraceptive drug;
dye;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
EC 1.8.1.9 (thioredoxin reductase) inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
flavouring agent;
food colouring;
geroprotector;
hepatoprotective agent;
immunomodulator;
iron chelator;
ligand;
lipoxygenase inhibitor;
metabolite;
neuroprotective agent;
nutraceutical;
radical scavenger
penicillic acid
Penicillic Acid: A mycotoxin with antibiotic and carcinogenic activity produced by various strains of PENICILLIUM and ASPERGILLUS. It has been found in tobacco, sausages, and corn.		6.9210
thiouracil
Thiouracil: Occurs in seeds of Brassica and Crucifera species. Thiouracil has been used as antithyroid, coronary vasodilator, and in congestive heart failure although its use has been largely supplanted by other drugs. It is known to cause blood dyscrasias and suspected of terato- and carcinogenesis.. thiouracil : A nucleobase analogue that is uracil in which the oxo group at C-2 is replaced by a thioxo group.		2.8640nucleobase analogue;
thiocarbonyl compound		antithyroid drug;
metabolite
thiohydantoins
Thiohydantoins: Sulfur analogs of hydantoins with one or both carbonyl groups replaced by thiocarbonyl groups.		4.811
cinnarizine
Cinnarizine: A piperazine derivative having histamine H1-receptor and calcium-channel blocking activity with vasodilating and antiemetic properties but it induces PARKINSONIAN DISORDERS.		2.0510diarylmethane;
N-alkylpiperazine;
olefinic compound		anti-allergic agent;
antiemetic;
calcium channel blocker;
geroprotector;
H1-receptor antagonist;
histamine antagonist;
muscarinic antagonist
sulindac
Sulindac: A sulfinylindene derivative prodrug whose sulfinyl moiety is converted in vivo to an active NSAID analgesic. Specifically, the prodrug is converted by liver enzymes to a sulfide which is excreted in the bile and then reabsorbed from the intestine. This helps to maintain constant blood levels with reduced gastrointestinal side effects.. sulindac : A monocarboxylic acid that is 1-benzylidene-1H-indene which is substituted at positions 2, 3, and 5 by methyl, carboxymethyl, and fluorine respectively, and in which the phenyl group of the benzylidene moiety is substituted at the para position by a methylsulfinyl group. It is a prodrug for the corresponding sulfide, a non-steroidal anti-inflammatory drug, used particularly in the treatment of acute and chronic inflammatory conditions.		2.4120monocarboxylic acid;
organofluorine compound;
sulfoxide		analgesic;
antineoplastic agent;
antipyretic;
apoptosis inducer;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug;
tocolytic agent
capsaicin
ALGRX-4975: an injectable capsaicin (TRPV1 receptor agonist) formulation for longlasting pain relief. capsaicinoid : A family of aromatic fatty amides produced as secondary metabolites by chilli peppers.		2.3820capsaicinoidnon-narcotic analgesic;
TRPV1 agonist;
voltage-gated sodium channel blocker
terbinafine
[no description available]		2.0410acetylenic compound;
allylamine antifungal drug;
enyne;
naphthalenes;
tertiary amine		EC 1.14.13.132 (squalene monooxygenase) inhibitor;
P450 inhibitor;
sterol biosynthesis inhibitor
pyridine-2-carbothioamide
pyridine-2-carbothioamide: structure in first source		2.0310
tosylarginine methyl ester
Tosylarginine Methyl Ester: Arginine derivative which is a substrate for many proteolytic enzymes. As a substrate for the esterase from the first component of complement, it inhibits the action of C(l) on C(4).		2.0610guanidines;
L-arginine ester;
methyl ester;
sulfonamide
cinnamonitrile
cinnamonitrile: RN given refers to cpd without isomeric designation		7.0510
chlorogenic acid
caffeoylquinic acid: Antiviral Agent; structure in first source. chlorogenate : A monocarboxylic acid anion that is the conjugate base of chlorogenic acid; major species at pH 7.3.		5.1931cinnamate ester;
tannin		food component;
plant metabolite
thioguanine anhydrous
Thioguanine: An antineoplastic compound which also has antimetabolite action. The drug is used in the therapy of acute leukemia.. tioguanine : A 2-aminopurine that is the 6-thiono derivative of 2-amino-1,9-dihydro-6H-purine. Incorporates into DNA and inhibits synthesis. Used in the treatment of leukaemia.		3.74302-aminopurinesanticoronaviral agent;
antimetabolite;
antineoplastic agent
digitoxose
[no description available]		2.0610
thiobarbituric acid
thiobarbituric acid: RN given refers to parent cpd. 2-thiobarbituric acid : A barbiturate, the structure of which is that of barbituric acid in which the oxygen at C-2 is replaced by sulfur.		7.3520barbituratesallergen;
reagent
s-phenyl-n-acetylcysteine
S-phenyl-N-acetylcysteine: found in urine of rats exposed to benzene; RN given refers to (L)-isomer; RN for cpd without isomeric designation not available 4/88		7.5940aryl sulfide;
S-substituted N-acetyl-L-cysteine		biomarker;
human urinary metabolite
thiourea
Thiourea: A photographic fixative used also in the manufacture of resins. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), this substance may reasonably be anticipated to be a carcinogen (Merck Index, 9th ed). Many of its derivatives are ANTITHYROID AGENTS and/or FREE RADICAL SCAVENGERS.. thiourea : The simplest member of the thiourea class, consisting of urea with the oxygen atom substituted by sulfur.		11.0881one-carbon compound;
thioureas;
ureas		antioxidant;
chromophore
D-fructopyranose
[no description available]		2.6530cyclic hemiketal;
D-fructose;
fructopyranose		sweetening agent
4-thiopyridine
4-thiopyridine: RN given refers to 4-thiopyridine cpd		210
thioacetamide
Thioacetamide: A crystalline compound used as a laboratory reagent in place of HYDROGEN SULFIDE. It is a potent hepatocarcinogen.. thioacetamide : A thiocarboxamide consiting of acetamide having the oxygen replaced by sulfur.		6.9310thiocarboxamidehepatotoxic agent
tempo
TEMPO: structure. TEMPO : A member of the class of aminoxyls that is piperidine that carries an oxidanediyl group at position 1 and methyl groups at positions 2, 2, 6, and 6, respectively.		3.0240aminoxyls;
piperidines		catalyst;
ferroptosis inhibitor;
radical scavenger
ferric ferrocyanide
ferric ferrocyanide: antidote to thallium poisoning; RN given refers to Fe(+3)[3:4] salt; structure		2.0710
digoxin
Digoxin: A cardiotonic glycoside obtained mainly from Digitalis lanata; it consists of three sugars and the aglycone DIGOXIGENIN. Digoxin has positive inotropic and negative chronotropic activity. It is used to control ventricular rate in ATRIAL FIBRILLATION and in the management of congestive heart failure with atrial fibrillation. Its use in congestive heart failure and sinus rhythm is less certain. The margin between toxic and therapeutic doses is small. (From Martindale, The Extra Pharmacopoeia, 30th ed, p666). digoxin : A cardenolide glycoside that is digitoxin beta-hydroxylated at C-12. A cardiac glycoside extracted from the foxglove plant, Digitalis lanata, it is used to control ventricular rate in atrial fibrillation and in the management of congestive heart failure with atrial fibrillation, but the margin between toxic and therapeutic doses is small.		2.3820cardenolide glycoside;
steroid saponin		anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
epitope
hydroxypropyl-gamma-cyclodextrin
[no description available]		2.1310
1-butyl-3-methylimidazolium tetrafluoroborate
[no description available]		7.0310
nadp
[no description available]		11.18260
1,1-diphenyl-2-picrylhydrazyl
1,1-diphenyl-2-picrylhydrazyl: A diphenyl picrate; the ability to decolorize this stable radical indicates reactivity of tested compounds (Banda, Anal Chem 46:1772-7 1974)		2.3820
1,4-phenylene diisocyanide
1,4-phenylene diisocyanide: structure in first source		2.0510
krn 7000
KRN 7000: has an alpha-galactosylceramide structure; structure given in first source. alpha-galactosylceramide : A galactosylceramide in which the galactosyl residue has alpha anomeric conofiguration.. 1-O-(alpha-D-galactosyl)-N-hexacosanoylphytosphingosine : A glycophytoceramide having an alpha-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen.		2.4920glycophytoceramide;
N-acyl-beta-D-galactosylphytosphingosine		allergen;
antigen;
antineoplastic agent;
epitope;
immunological adjuvant
thiopental
Thiopental: A barbiturate that is administered intravenously for the induction of general anesthesia or for the production of complete anesthesia of short duration.. thiopental : A barbiturate, the structure of which is that of 2-thiobarbituric acid substituted at C-5 by ethyl and sec-pentyl groups.		4.0140barbituratesanticonvulsant;
drug allergen;
environmental contaminant;
intravenous anaesthetic;
sedative;
xenobiotic
laccase
Laccase: A copper-containing oxidoreductase enzyme that catalyzes the oxidation of 4-benzenediol to 4-benzosemiquinone. It also has activity towards a variety of O-quinols and P-quinols. It primarily found in FUNGI and is involved in LIGNIN degradation, pigment biosynthesis and detoxification of lignin-derived products.		3.3860
azoester
azoester: causes hemolysis of human erythrocytes containing carbon monoxyhemoglobin; in those containing oxyhemoglobin instead, causes denaturation of intracellular constituents rather than membrance damage; thiol agent; structure		1.9510
lithium
Lithium: An element in the alkali metals family. It has the atomic symbol Li, atomic number 3, and atomic weight [6.938; 6.997]. Salts of lithium are used in treating BIPOLAR DISORDER.		5.36180alkali metal atom
nitrogen dioxide
Nitrogen Dioxide: Nitrogen oxide (NO2). A highly poisonous gas. Exposure produces inflammation of lungs that may only cause slight pain or pass unnoticed, but resulting edema several days later may cause death. (From Merck, 11th ed) It is a major atmospheric pollutant that is able to absorb UV light that does not reach the earth's surface.		7.69630nitrogen oxide
phosphamidon
Phosphamidon: An organophosphate cholinesterase inhibitor that is used as an insecticide.		6.9510
gestodene
Gestodene: synthetic steroid with progestational activity; RN given refers to (17alpha)-isomer		2.0110steroidestrogen
quinine
[no description available]		4.1650cinchona alkaloidantimalarial;
muscle relaxant;
non-narcotic analgesic
methyl radical
[no description available]		7.0310organic radical
cystine
[no description available]		7.6330
safingol
safingol: RN given refers to the (R-(R*,S*))-isomer		1.9810amino alcohol
phenoaldehyde
phenoaldehyde: resinifying agent in 3 solutionss; 1-formaldehyde, cresol, alcohol; 2-resorcin; 3-NAOH; when these solution are mixed & introduced into root canals, residual pulpal & infected tissues should become polymerized		2.1710
calixarenes
Calixarenes: Phenolic metacyclophanes derived from condensation of PHENOLS and ALDEHYDES. The name derives from the vase-like molecular structures. A bracketed [n] indicates the number of aromatic rings.. calixarenes : Originally macrocyclic compounds capable of assuming a basket (or "calix") shaped conformation. They are formed from p-hydrocarbyl phenols and formaldehyde. The term now applies to a variety of derivatives by substitution of the hydrocarbon cyclo{oligo[(1,3-phenylene)methylene]}.. calixarene : A macrocycle composed of 1,3-phenylene groups linked by methylene groups. The number of 1,3-phenylene units in the macrocycle is denoted by the "n" in calix[n]arene name.		3.75100
dipyrromethene
dipyrromethene: structure in first source. dipyrrin : A dipyrrin that consists of pyrrole bearing a pyrrol-2-ylidenemethyl substituent at the 2-position.		2.0510dipyrrins
cytellin
cytellin: a phytosterol preparation of mainly B-sitosterol, that was marketed by Eli Lilly to lower cholesterol 1957 to 1982		1.9310
phosphonic acid
phosphonic acid : A phosphorus oxoacid that consists of a single pentavalent phosphorus covalently bound via single bonds to a single hydrogen and two hydroxy groups and via a double bond to an oxygen. The parent of the class of phosphonic acids.		6.9210
thymic factor, circulating
thymalin: see also thymarin		1.9910
4-(4,5-diphenyl-1h-imidazol-2-yl)phenylboronic acid
4-(4,5-diphenyl-1H-imidazol-2-yl)phenylboronic acid: structure in first source		2.0210
ovalbumin
Ovalbumin: An albumin obtained from the white of eggs. It is a member of the serpin superfamily.		3.260
sodium dodecyl sulfate
Sodium Dodecyl Sulfate: An anionic surfactant, usually a mixture of sodium alkyl sulfates, mainly the lauryl; lowers surface tension of aqueous solutions; used as fat emulsifier, wetting agent, detergent in cosmetics, pharmaceuticals and toothpastes; also as research tool in protein biochemistry.. sodium dodecyl sulfate : An organic sodium salt that is the sodium salt of dodecyl hydrogen sulfate.		8.87120organic sodium saltdetergent;
protein denaturant
chloramine-t
chloramine-T: RN given refers to unlabeled parent cpd. chloramine T : An organic sodium salt derivative of toluene-4-sulfonamide with a chloro substituent in place of an amino hydrogen.		1.9610organic sodium saltallergen;
antifouling biocide;
disinfectant
zinc protoporphyrin ix
[no description available]		2.0310
alpha-chymotrypsin
Chymotrypsin: A serine endopeptidase secreted by the pancreas as its zymogen, CHYMOTRYPSINOGEN and carried in the pancreatic juice to the duodenum where it is activated by TRYPSIN. It selectively cleaves aromatic amino acids on the carboxyl side.		8.5590
2-ethynylaniline
2-ethynylaniline: structure in first source		2.0810
17-ketosteroids
17-Ketosteroids: Steroids that contain a ketone group at position 17.. 17-oxo steroid : Any oxo steroid carrying the oxo group at position 17.		2.8540
naphthoquinones
Naphthoquinones: Naphthalene rings which contain two ketone moieties in any position. They can be substituted in any position except at the ketone groups.		3.150
sodium borohydride
sodium borohydride: RN given refers to parent cpd		2.420inorganic sodium salt;
metal tetrahydridoborate
chloramine-b
chloramine-B: RN given refers to parent cpd		1.9310
lupitidine
[no description available]		1.9910
myelin basic protein
Myelin Basic Protein: An abundant cytosolic protein that plays a critical role in the structure of multilamellar myelin. Myelin basic protein binds to the cytosolic sides of myelin cell membranes and causes a tight adhesion between opposing cell membranes.		1.9610
1,4-benzenedithiol
1,4-benzenedithiol: structure in first source		2.0710
diclofenac sodium
Diclofenac Sodium: The sodium form of DICLOFENAC. It is used for its analgesic and anti-inflammatory properties.. diclofenac sodium : The sodium salt of diclofenac.		2.0210organic sodium salt
tropylium
tropylium: structure in first source		2.0610monocyclic arene
diethyl maleate
diethyl maleate : A maleate ester resulting from the formal condensation of both carboxy groups of maleic acid with ethanol. A colourless liquid at room temperature (m.p. -10degreeC) with boiling point 220degreeC at 1 atm., it is commonly used as a dienophile for Diels-Alder-type cycloaddition reactions in organic synthesis.		1.9710ethyl ester;
maleate ester		glutathione depleting agent
dibutyl maleate
[no description available]		2.0110
sphingosine
sphing-4-enine : A sphingenine in which the C=C double bond is located at the 4-position.. sphingenine : A 2-aminooctadecene-1,3-diol having (2S,3R)-configuration.. sphingoid : Sphinganine, its homologs and stereoisomers, and the hydroxy and unsaturated derivatives of these compounds.. 2-aminooctadec-4-ene-1,3-diol : A 2-aminooctadecene-1,3-diol having its double bond at position 4.		2.4220sphing-4-eninehuman metabolite;
mouse metabolite
quercetin
[no description available]		7.43207-hydroxyflavonol;
pentahydroxyflavone		antibacterial agent;
antineoplastic agent;
antioxidant;
Aurora kinase inhibitor;
chelator;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
geroprotector;
phytoestrogen;
plant metabolite;
protein kinase inhibitor;
radical scavenger
bilirubin
[no description available]		8.4170biladienes;
dicarboxylic acid		antioxidant;
human metabolite;
mouse metabolite
dinoprostone
prostaglandin E2 : Prostaglandin F2alpha in which the hydroxy group at position 9 has been oxidised to the corresponding ketone. Prostaglandin E2 is the most common and most biologically potent of mammalian prostaglandins.		2.9340prostaglandins Ehuman metabolite;
mouse metabolite;
oxytocic
luteolin
[no description available]		5.25213'-hydroxyflavonoid;
tetrahydroxyflavone		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
c-Jun N-terminal kinase inhibitor;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
immunomodulator;
nephroprotective agent;
plant metabolite;
radical scavenger;
vascular endothelial growth factor receptor antagonist
linoleic acid
Linoleic Acid: A doubly unsaturated fatty acid, occurring widely in plant glycosides. It is an essential fatty acid in mammalian nutrition and is used in the biosynthesis of prostaglandins and cell membranes. (From Stedman, 26th ed). linoleic acid : An octadecadienoic acid in which the two double bonds are at positions 9 and 12 and have Z (cis) stereochemistry.		2.4720octadecadienoic acid;
omega-6 fatty acid		algal metabolite;
Daphnia galeata metabolite;
plant metabolite
vitamin k semiquinone radical
vitamin K semiquinone radical: found in active preparations of vitamin K-dependent carboxylase. vitamin K : Any member of a group of fat-soluble 2-methyl-1,4-napthoquinones that exhibit biological activity against vitamin K deficiency. Vitamin K is required for the synthesis of prothrombin and certain other blood coagulation factors.		2.3420
beta carotene
beta Carotene: A carotenoid that is a precursor of VITAMIN A. Beta carotene is administered to reduce the severity of photosensitivity reactions in patients with erythropoietic protoporphyria (PORPHYRIA, ERYTHROPOIETIC).. provitamin A : A provitamin that can be converted into vitamin A by enzymes from animal tissues.		210carotenoid beta-end derivative;
cyclic carotene		antioxidant;
biological pigment;
cofactor;
ferroptosis inhibitor;
human metabolite;
mouse metabolite;
plant metabolite;
provitamin A
daphnetin
[no description available]		2.3110hydroxycoumarin
8,11,14-eicosatrienoic acid
8,11,14-Eicosatrienoic Acid: A 20-carbon-chain fatty acid, unsaturated at positions 8, 11, and 14. It differs from arachidonic acid, 5,8,11,14-eicosatetraenoic acid, only at position 5.. all-cis-icosa-8,11,14-trienoic acid : An icosatrienoic acid having three cis double bonds at positions 8, 11 and 14.		2.1510fatty acid 20:3;
long-chain fatty acid		fungal metabolite;
human metabolite;
nutraceutical
rosin
rosin: Resin from plant. Do not confuse with the specific compound: 3-phenyl-2-propenyl-(E)-beta-D-glucopyranoside, also know as rosin.		1.9810
vitamin d 2
Ergocalciferols: Derivatives of ERGOSTEROL formed by ULTRAVIOLET RAYS breaking of the C9-C10 bond. They differ from CHOLECALCIFEROL in having a double bond between C22 and C23 and a methyl group at C24.. vitamin D2 : A vitamin D supplement and has been isolated from alfalfa.		2.3720hydroxy seco-steroid;
seco-ergostane;
vitamin D		bone density conservation agent;
nutraceutical;
plant metabolite;
rodenticide
cholecalciferol
Cholecalciferol: Derivative of 7-dehydroxycholesterol formed by ULTRAVIOLET RAYS breaking of the C9-C10 bond. It differs from ERGOCALCIFEROL in having a single bond between C22 and C23 and lacking a methyl group at C24.. calciol : A hydroxy seco-steroid that is (5Z,7E)-9,10-secocholesta-5,7,10(19)-triene in which the pro-S hydrogen at position 3 has been replaced by a hydroxy group. It is the inactive form of vitamin D3, being hydroxylated in the liver to calcidiol (25-hydroxyvitamin D3), which is then further hydroxylated in the kidney to give calcitriol (1,25-dihydroxyvitamin D3), the active hormone.		2.6730D3 vitamins;
hydroxy seco-steroid;
seco-cholestane;
secondary alcohol;
steroid hormone		geroprotector;
human metabolite
rutin
Hydroxyethylrutoside: Monohydroxyethyl derivative of rutin. Peripheral circulation stimulant used in treatment of venous disorders.		2.4620disaccharide derivative;
quercetin O-glucoside;
rutinoside;
tetrahydroxyflavone		antioxidant;
metabolite
leukotriene d4
Leukotriene D4: One of the biologically active principles of SRS-A. It is generated from LEUKOTRIENE C4 after partial hydrolysis of the peptide chain, i.e., cleavage of the gamma-glutamyl portion. Its biological actions include stimulation of vascular and nonvascular smooth muscle, and increases in vascular permeability. (From Dictionary of Prostaglandins and Related Compounds, 1990). leukotriene D4 : A leukotriene that is (7E,9E,11Z,14Z)-icosa-7,9,11,14-tetraenoic acid substituted by a hydroxy group at position 5 (5S) and a L-cysteinylglycinyl group at position 6 (6R).		7.9140dipeptide;
leukotriene;
organic sulfide		bronchoconstrictor agent;
human metabolite;
mouse metabolite
harmine
Harmine: Alkaloid isolated from seeds of PEGANUM HARMALA; ZYGOPHYLLACEAE. It is identical to banisterine, or telepathine, from Banisteria caapi and is one of the active ingredients of hallucinogenic drinks made in the western Amazon region from related plants. It has no therapeutic use, but (as banisterine) was hailed as a cure for postencephalitic PARKINSON DISEASE in the 1920's.. harmine : A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7.		7.4220harmala alkaloidanti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
metabolite
amphotericin b
Amphotericin B: Macrolide antifungal antibiotic produced by Streptomyces nodosus obtained from soil of the Orinoco river region of Venezuela.. amphotericin B : A macrolide antibiotic used to treat potentially life-threatening fungal infections.		1.9510antibiotic antifungal drug;
macrolide antibiotic;
polyene antibiotic		antiamoebic agent;
antiprotozoal drug;
bacterial metabolite
pulmicort
Budesonide: A glucocorticoid used in the management of ASTHMA, the treatment of various skin disorders, and allergic RHINITIS.. budesonide : A glucocorticoid steroid having a highly oxygenated pregna-1,4-diene structure. It is used mainly in the treatment of asthma and non-infectious rhinitis and for treatment and prevention of nasal polyposis.		2.041011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic acetal;
glucocorticoid;
primary alpha-hydroxy ketone		anti-inflammatory drug;
bronchodilator agent;
drug allergen
oxymetholone
Oxymetholone: A synthetic hormone with anabolic and androgenic properties. It is used mainly in the treatment of anemias. According to the Fourth Annual Report on Carcinogens (NTP 85-002), this compound may reasonably be anticipated to be a carcinogen. (From Merck Index, 11th ed). oxymetholone : A 3-oxo-5alpha- steroid that is 4,5alpha-dihydrotestosterone which is substituted by a hydroxymethylidene group at position 2 and by a methyl group at the 17alpha position. A synthetic androgen, it was mainly used for the treatment of anaemias until being replaced by treatments with fewer side effects.		3.0410
jasmonic acid
jasmonic acid: a derivative of alpha-linolenic acid that has a role in plant response to herbivory analogous to the role of prostanoids in inflammation in mammals;. jasmonic acid : An oxo monocarboxylic acid that is (3-oxocyclopentyl)acetic acid substituted by a (2Z)-pent-2-en-1-yl group at position 2 of the cyclopentane ring.		2.1510oxo monocarboxylic acidjasmonates;
plant metabolite
harman
harman: a beta-carboline; RN given refers to parent cpd; structure. harman : An indole alkaloid fundamental parent with a structure of 9H-beta-carboline carrying a methyl substituent at C-1. It has been isolated from the bark of Sickingia rubra, Symplocus racemosa, Passiflora incarnata, Peganum harmala, Banisteriopsis caapi and Tribulus terrestris, as well as from tobacco smoke. It is a specific, reversible inhibitor of monoamine oxidase A.		210harmala alkaloid;
indole alkaloid fundamental parent;
indole alkaloid		anti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite
humulene
humulene: structure given in first source. (1E,4E,8E)-alpha-humulene : The (1E,4E,8E)-isomer of alpha-humulene.		5.8471alpha-humulene
fisetin
[no description available]		2.41103'-hydroxyflavonoid;
7-hydroxyflavonol;
tetrahydroxyflavone		anti-inflammatory agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
metabolite;
plant metabolite
quercetagetin
quercetagetin: structure given in first source; inhibits aldose reductase in rat lens. quercetagetin : A hexahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 5, 6, 7, 3' and 4' respectively.		2.4110flavonols;
hexahydroxyflavone		antioxidant;
antiviral agent;
plant metabolite
robinetin
robinetin: structure given in first source. robinetin : A pentahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 7, 3, 4' and 5'.		2.41107-hydroxyflavonol;
pentahydroxyflavone		plant metabolite
ellagic acid
[no description available]		2.4110catechols;
cyclic ketone;
lactone;
organic heterotetracyclic compound;
polyphenol		antioxidant;
EC 1.14.18.1 (tyrosinase) inhibitor;
EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor;
EC 2.4.1.1 (glycogen phosphorylase) inhibitor;
EC 2.5.1.18 (glutathione transferase) inhibitor;
EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor;
EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor;
EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
food additive;
fungal metabolite;
geroprotector;
plant metabolite;
skin lightening agent
epoprostenol
[no description available]		2.0510prostaglandins Imouse metabolite
pitavastatin
pitavastatin : A dihydroxy monocarboxylic acid that is (6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]hept-6-enoic acid in which the two hydroxy groups are located at positions 3 and 5 (the 3R,5S-stereoisomer). Used as its calcium salt for treatment of hypercholesterolemia (elevated levels of cholesterol in the blood) on patients unable to sufficiently lower their cholesterol levels by diet and exercise.		2.1110cyclopropanes;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
quinolines;
statin (synthetic)		antioxidant
5,6-epoxy-8,11,14-eicosatrienoic acid
5,6-epoxy-8,11,14-eicosatrienoic acid: RN given refers to cpd without isomeric designation. 5,6-EET : An EET obtained by formal epoxidation of the 5,6-double bond of arachidonic acid.		2.1510EETmouse metabolite
8,9-epoxyeicosatrienoic acid
8,9-epoxyeicosatrienoic acid: RN given refers to cpd without isomeric designation. 8,9-EET : An EET obtained by formal epoxidation of the 8,9-double bond of arachidonic acid.		2.1510EETmouse metabolite
muconaldehyde
muconaldehyde: potential toxic intermediate in benzene metabolism; structure given in first source		6.27280fatty aldehyde
4-hydroxy-2-nonenal
4-hydroxy-2-nonenal: cytotoxic product from peroxidation of liver microsomal lipids; RN given refers to cpd without isomeric designation. 4-hydroxynon-2-enal : An enal consisting of non-2-ene having an oxo group at the 1-position and a hydroxy group at the 4-position.. 4-hydroxynonenal : A monounsaturated fatty aldehyde that is nonanal that has undergone dehydrogenation to introduce a double bond at any position in the aliphatic chain and in which a hydrogen at position 4 has been replaced by a hydroxy group.		2.05104-hydroxynon-2-enal;
4-hydroxynonenal
sphingosine 1-phosphate
sphingosine 1-phosphate: RN given refers to (R-(R*,S*-(E)))-isomer; RN for cpd without isomeric designation not available 8/89. sphingosine 1-phosphate : A phosphosphingolipid that consists of sphingosine having a phospho group attached at position 1		2.0710sphingoid 1-phosphatemouse metabolite;
signalling molecule;
sphingosine-1-phosphate receptor agonist;
T-cell proliferation inhibitor;
vasodilator agent
codeine
[no description available]		3.9640morphinane alkaloid;
organic heteropentacyclic compound		antitussive;
drug allergen;
environmental contaminant;
opioid analgesic;
opioid receptor agonist;
prodrug;
xenobiotic
phenylephrine hydrochloride
Nose: A part of the upper respiratory tract. It contains the organ of SMELL. The term includes the external nose, the nasal cavity, and the PARANASAL SINUSES.. phenylephrine hydrochloride : A hydrochloride that is the monohydrochloride salt of phenylephrine.		2.3420hydrochloride
oleyl alcohol
oleyl alcohol: structure; RN given refers to cpd without isomeric designation		210fatty alcohol 18:1;
long-chain primary fatty alcohol		metabolite;
nonionic surfactant
vitamin k 1
Vitamin K 1: A family of phylloquinones that contains a ring of 2-methyl-1,4-naphthoquinone and an isoprenoid side chain. Members of this group of vitamin K 1 have only one double bond on the proximal isoprene unit. Rich sources of vitamin K 1 include green plants, algae, and photosynthetic bacteria. Vitamin K1 has antihemorrhagic and prothrombogenic activity.. phylloquinone : A member of the class of phylloquinones that consists of 1,4-naphthoquinone having methyl and phytyl groups at positions 2 and 3 respectively. The parent of the class of phylloquinones.		2.3720phylloquinones;
vitamin K		cofactor;
human metabolite;
plant metabolite
sirolimus
Sirolimus: A macrolide compound obtained from Streptomyces hygroscopicus that acts by selectively blocking the transcriptional activation of cytokines thereby inhibiting cytokine production. It is bioactive only when bound to IMMUNOPHILINS. Sirolimus is a potent immunosuppressant and possesses both antifungal and antineoplastic properties.. sirolimus : A macrolide lactam isolated from Streptomyces hygroscopicus consisting of a 29-membered ring containing 4 trans double bonds, three of which are conjugated. It is an antibiotic, immunosupressive and antineoplastic agent.		2.0310antibiotic antifungal drug;
cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
organic heterotricyclic compound;
secondary alcohol		antibacterial drug;
anticoronaviral agent;
antineoplastic agent;
bacterial metabolite;
geroprotector;
immunosuppressive agent;
mTOR inhibitor
morphine
Meconium: The thick green-to-black mucilaginous material found in the intestines of a full-term fetus. It consists of secretions of the INTESTINAL GLANDS; BILE PIGMENTS; FATTY ACIDS; AMNIOTIC FLUID; and intrauterine debris. It constitutes the first stools passed by a newborn.		5.9680morphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic
oregon green 488 carboxylic acid
[no description available]		2.0510xanthene dyeepitope;
fluorochrome
fluticasone
Fluticasone: A STEROID with GLUCOCORTICOID RECEPTOR activity that is used to manage the symptoms of ASTHMA; ALLERGIC RHINITIS, and ATOPIC DERMATITIS.. fluticasone : A trifluorinated corticosteroid used in the form of its propionate ester for treatment of allergic rhinitis.		4.81111beta-hydroxy steroid;
17alpha-hydroxy steroid;
3-oxo-Delta(4) steroid;
corticosteroid;
fluorinated steroid;
thioester		anti-allergic agent;
anti-asthmatic drug
cytochalasin b
Cytochalasin B: A cytotoxic member of the CYTOCHALASINS.. cytochalasin B : An organic heterotricyclic compound, that is a mycotoxin which is cell permeable an an inhibitor of cytoplasmic division by blocking the formation of contractile microfilaments.		2.0510cytochalasin;
lactam;
lactone;
organic heterotricyclic compound		actin polymerisation inhibitor;
metabolite;
mycotoxin;
platelet aggregation inhibitor
calyculin a
calyculin A: RN given refers to (5S-(5alpha(2R*(1S*,3S*,4S*,5R*,6R*,7E,9E,11E,13Z),3R*),7beta(E(S*)),*beta,9alpha))-isomer		2.0310
cinnamyl alcohol
cinnamyl alcohol: RN given refers to parent cpd without isomeric designation. (E)-cinnamyl alcohol : The E (trans) stereoisomer of cinnamyl alcohol.. cinnamyl alcohol : A primary alcohol comprising an allyl core with a hydroxy substituent at the 1-position and a phenyl substituent at the 3-position (geometry of the C=C bond unspecified).		2.0310cinnamyl alcoholplant metabolite
tylophorine b
tylophorine B: isolated from Albizzia julibrissin; structure in first source		710
thebaine
Thebaine: A drug that is derived from opium, which contains from 0.3-1.5% thebaine depending on its origin. It produces strychnine-like convulsions rather than narcosis. It may be habit-forming and is a controlled substance (opiate) listed in the U.S. Code of Federal Regulations, Title 21 Part 1308.12 (1985). (From Merck Index, 11th ed)		1.9410morphinane alkaloid;
organic heteropentacyclic compound
10-methyl-9,10-dihydroacridine
10-methyl-9,10-dihydroacridine: structure in first source		2.1310
casein kinase ii
Casein Kinase II: A ubiquitous casein kinase that is comprised of two distinct catalytic subunits and dimeric regulatory subunit. Casein kinase II has been shown to phosphorylate a large number of substrates, many of which are proteins involved in the regulation of gene expression.		2.0610
lead
Lead: A soft, grayish metal with poisonous salts; atomic number 82, atomic weight 207.2, symbol Pb.		8.74620carbon group element atom;
elemental lead;
metal atom		neurotoxin
tin
[no description available]		2.8840carbon group element atom;
elemental tin;
metal atom		micronutrient
diamide
Diamide: A sulfhydryl reagent which oxidizes sulfhydryl groups to the disulfide form. It is a radiation-sensitizing agent of anoxic bacterial and mammalian cells.		2.05101,1'-azobis(N,N-dimethylformamide)
antimony
Antimony: A metallic element that has the atomic symbol Sb, atomic number 51, and atomic weight 121.75. It is used as a metal alloy and as medicinal and poisonous salts. It is toxic and an irritant to the skin and the mucous membranes.		7.6530metalloid atom;
pnictogen
cesium
Cesium: A member of the alkali metals. It has an atomic symbol Cs, atomic number 50, and atomic weight 132.91. Cesium has many industrial applications, including the construction of atomic clocks based on its atomic vibrational frequency.		8.2760alkali metal atom
barium
Barium: An element of the alkaline earth group of metals. It has an atomic symbol Ba, atomic number 56, and atomic weight 138. All of its acid-soluble salts are poisonous.		2.6430alkaline earth metal atom;
elemental barium
7,8-dihydroxy-4-methylcoumarin
7,8-dihydroxy-4-methylcoumarin: possess strong antioxidant and radical scavenging activities; structure in first source		210hydroxycoumarin
8-oxo-7,8-dihydrodeoxyguanine
8-oxo-7,8-dihydrodeoxyguanine: structure given in first source		2.0610
muconic acid
muconic acid: a metabolite of benzene; reported to be a reliable indicator of occupational exposure to benzene; structure given in first source. trans,trans-muconic acid : The trans,trans-isomer of muconic acid. It is metabolite of benzene in humans and serves as a biomarker of occupational exposure to benzene.. muconic acid : A hexadienedioic acid with unsaturation at positions 2 and 4.		12.21712muconic acidbiomarker;
human xenobiotic metabolite
rubidium
Rubidium: An element that is an alkali metal. It has an atomic symbol Rb, atomic number 37, and atomic weight 85.47. It is used as a chemical reagent and in the manufacture of photoelectric cells.		7.7130alkali metal atom
aluminum
Aluminum: A metallic element that has the atomic number 13, atomic symbol Al, and atomic weight 26.98.		4.77320boron group element atom;
elemental aluminium;
metal atom
strontium
Strontium: An element of the alkaline earth family of metals. It has the atomic symbol Sr, atomic number 38, and atomic weight 87.62.		5.731alkaline earth metal atom
bismuth
Bismuth: A metallic element that has the atomic symbol Bi, and atomic number 83. Its principal isotope is Bismuth 209.		5.3941metal atom;
pnictogen
thallium
Thallium: A heavy, bluish white metal, atomic number 81, atomic weight [204.382; 204.385], symbol Tl.. thallium : A metallic element first identified and named from the brilliant green line in its flame spectrum (from Greek thetaalphalambdalambdaomicronsigma, a green shoot).		2.2510boron group element atom
arsenic
Arsenic: A shiny gray element with atomic symbol As, atomic number 33, and atomic weight 75. It occurs throughout the universe, mostly in the form of metallic arsenides. Most forms are toxic. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), arsenic and certain arsenic compounds have been listed as known carcinogens. (From Merck Index, 11th ed)		7.71460metalloid atom;
pnictogen		micronutrient
indium
Indium: A metallic element, atomic number 49, atomic weight 114.818, symbol In. It is named from its blue line in the spectrum.. indium atom : A metallic element first identified and named from the brilliant indigo (Latin indicum) blue line in its flame spectrum.		2.3920boron group element atom
dextromethorphan
Dextromethorphan: Methyl analog of DEXTRORPHAN that shows high affinity binding to several regions of the brain, including the medullary cough center. This compound is an NMDA receptor antagonist (RECEPTORS, N-METHYL-D-ASPARTATE) and acts as a non-competitive channel blocker. It is one of the widely used ANTITUSSIVES, and is also used to study the involvement of glutamate receptors in neurotoxicity.. dextromethorphan : A 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene in which the sterocenters at positions 4a, 10 and 10a have S-configuration. It is a prodrug of dextrorphan and used as an antitussive drug for suppressing cough.		6.98106-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthreneantitussive;
environmental contaminant;
neurotoxin;
NMDA receptor antagonist;
oneirogen;
prodrug;
xenobiotic
gallium
Gallium: A rare, metallic element designated by the symbol, Ga, atomic number 31, and atomic weight 69.72.. gallium atom : A metallic element predicted as eka-aluminium by Mendeleev in 1870 and discovered by Paul-Emile Lecoq de Boisbaudran in 1875. Named in honour of France (Latin Gallia) and perhaps also from the Latin gallus cock, a translation of Lecoq.		3.2760boron group element atom
sulfur
Sulfur: An element that is a member of the chalcogen family. It has an atomic symbol S, atomic number 16, and atomic weight [32.059; 32.076]. It is found in the amino acids cysteine and methionine.		7.66281chalcogen;
nonmetal atom		macronutrient
methyl oleate
[no description available]		7.420fatty acid methyl ester
musk
musk: pure essence from secretion of preputial follicles of Moschus moschiferus L.		2.0110macrolide
beta-damascenone
beta-damascenone: from Ipomoea pes-caprea; RN given refers to cpd without isomeric designation; RN 23726-93-4 refers to beta-damascenone; structure given in first source. beta-damascenone : A cyclic monoterpene ketone that is 2,6,6-trimethylcyclohexa-1,3-diene substituted at position 1 by a crotonoyl group.		2.1710apo carotenoid monoterpenoid;
cyclic monoterpene ketone;
enone		fragrance;
plant metabolite;
volatile oil component
diphenylhexatriene
Diphenylhexatriene: A fluorescent compound that emits light only in specific configurations in certain lipid media. It is used as a tool in the study of membrane lipids.		2.0810alkatrienefluorochrome
veratrine
Veratrine: A voltage-gated sodium channel activator.		1.9410alkaloid
dimyristoylphosphatidylcholine
1,2-di-O-myristoyl-sn-glycero-3-phosphocholine : A 1,2-diacyl-sn-glycero-3-phosphocholine where the two phosphatidyl acyl groups are specified as tetradecanoyl (myristoyl).. dimyristoyl phosphatidylcholine : A phosphatidylcholine where the phosphatidyl acyl groups are specified as tetradecanoyl (myristoyl).		2.95401,2-diacyl-sn-glycero-3-phosphocholine;
phosphatidylcholine 28:0;
tetradecanoate ester		antigen;
mouse metabolite
deoxyribose
[no description available]		3.9840deoxypentosehuman metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
fumarates
Fumarates: Compounds based on fumaric acid.. fumarate(2-) : A C4-dicarboxylate that is the E-isomer of but-2-enedioate(2-)		3.8230butenedioate;
C4-dicarboxylate		human metabolite;
metabolite;
Saccharomyces cerevisiae metabolite
beryllium
Beryllium: An element with the atomic symbol Be, atomic number 4, and atomic weight 9.01218. Short exposure to this element can lead to a type of poisoning known as BERYLLIOSIS.. beryllium atom : Alkaline earth metal atom with atomic number 4.		3.2460alkaline earth metal atom;
elemental beryllium;
metal allergen		adjuvant;
carcinogenic agent;
epitope
acetyl acetonate
[no description available]		2.1110
seleninic acid
[no description available]		6.9310selenium oxoacid
cysteine
Cysteine: A thiol-containing non-essential amino acid that is oxidized to form CYSTINE.. L-cysteinium : The L-enantiomer of cysteinium.. cysteine : A sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3.		4.73310cysteiniumfundamental metabolite
isophthalate
isophthalate: RN given refers to parent cpd		2.0510dicarboxylic acid dianion
thyronines
Thyronines: A group of metabolites derived from THYROXINE and TRIIODOTHYRONINE via the peripheral enzymatic removal of iodines from the thyroxine nucleus. Thyronine is the thyroxine nucleus devoid of its four iodine atoms.. thyronine : A tyrosine derivative where the phenolic hydrogen of tyrosine is substituted by 4-hydroxyphenyl.		1.9410thyronine
silicon
Silicon: A trace element that constitutes about 27.6% of the earth's crust in the form of SILICON DIOXIDE. It does not occur free in nature. Silicon has the atomic symbol Si, atomic number 14, and atomic weight [28.084; 28.086].		5.34170carbon group element atom;
metalloid atom;
nonmetal atom
phosphorus
Phosphorus: A non-metal element that has the atomic symbol P, atomic number 15, and atomic weight 31. It is an essential element that takes part in a broad variety of biochemical reactions.		4.95120monoatomic phosphorus;
nonmetal atom;
pnictogen		macronutrient
boron
Boron: A trace element with the atomic symbol B, atomic number 5, and atomic weight [10.806; 10.821]. Boron-10, an isotope of boron, is used as a neutron absorber in BORON NEUTRON CAPTURE THERAPY.		5.49120boron group element atom;
metalloid atom;
nonmetal atom		micronutrient
hexanitrostilbene
hexanitrostilbene: structure in first source		2.0510
gamma-rubromycin
gamma-rubromycin: structure given in first source		2.0810
2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid
2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid: chromogen in glucose oxidase-peroxidase method for determining serum glucose; used in free radical scavenging assays; structure in first source		2.0510
7-epiclusianone
7-epiclusianone: from Rheedia gardneriana; structure in first source. 7-epiclusianone : An enone that is a tetraprenyl benzophenone derivative isolated from Rheedia gardneriana and Garcinia brasiliensis. It exhibits anti-allergic, antibacterial, trypanocidal and vasodilating activities.		2.4110
kendomycin
kendomycin: structure in first source		2.0210benzofurans
trandolapril
trandolapril : A heterobicylic compound that is (2S,3aR,7aS)-1-[(2S)-2-aminopropanoyl]octahydro-1H-indole-2-carboxylic acid in which the hydrogen of the amino group is substituted by a (2R)-1-ethoxy-1-oxo-4-phenylbutan-2-yl group. It is a angiotensin-converting enzyme inhibitor and a prodrug used for the treatment of hypertension.		2.0310dicarboxylic acid monoester;
dipeptide;
ethyl ester;
organic heterobicyclic compound;
secondary amino compound;
tertiary carboxamide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
udp-n-acetylmuramic acid pentapeptide
[no description available]		2.1310
triolein
Triolein: (Z)-9-Octadecenoic acid 1,2,3-propanetriyl ester.. triolein : A triglyceride formed by esterification of the three hydroxy groups of glycerol with oleic acid. Triolein is one of the two components of Lorenzo's oil.		1.9510triglycerideCaenorhabditis elegans metabolite;
plant metabolite
guanabenz
Guanabenz: An alpha-2 selective adrenergic agonist used as an antihypertensive agent.		2.0210dichlorobenzene
ammonium sulfate
Ammonium Sulfate: Sulfuric acid diammonium salt. It is used in CHEMICAL FRACTIONATION of proteins.. ammonium sulfate : An inorganic sulfate salt obtained by reaction of sulfuric acid with two equivalents of ammonia. A high-melting (decomposes above 280degreeC) white solid which is very soluble in water (70.6 g/100 g water at 0degreeC; 103.8 g/100 g water at 100degreeC), it is widely used as a fertilizer for alkaline soils.		2.6630ammonium salt;
inorganic sulfate salt		fertilizer
barium titanate(iv)
barium titanate(IV): RN given refers to parent cpd		2.0610
kresoxim-methyl
kresoxim-methyl: strobilurin analogue; an industrial fungicide. kresoxim-methyl : A carboxylic ester that is the methyl ester of (2E)-(methoxyimino){2-[(2-methylphenoxy)methyl]phenyl}acetic acid. A fungicide for the control of scab on apples and pears and other fungal diseases on a wide range of crops.		2.8930aromatic ether;
methoxyiminoacetate strobilurin antifungal agent;
methyl ester;
oxime O-ether		antifungal agrochemical;
environmental contaminant;
mitochondrial cytochrome-bc1 complex inhibitor;
xenobiotic
proguanil
Proguanil: A biguanide compound which metabolizes in the body to form cycloguanil, an anti-malaria agent.. proguanil : A biguanide compound which has isopropyl and p-chlorophenyl substituents on the terminal N atoms. A prophylactic antimalarial drug, it works by inhibiting the enzyme dihydrofolate reductase, which is involved in the reproduction of the malaria parasites Plasmodium falciparum and P. vivax within the red blood cells.		2.4110biguanides;
monochlorobenzenes		antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
germanium
Germanium: A rare metal element with a blue-gray appearance and atomic symbol Ge, atomic number 32, and atomic weight 72.63.		2.4320carbon group element atom;
metalloid atom;
nonmetal atom
selenium
Selenium: An element with the atomic symbol Se, atomic number 34, and atomic weight 78.97. It is an essential micronutrient for mammals and other animals but is toxic in large amounts. Selenium protects intracellular structures against oxidative damage. It is an essential component of GLUTATHIONE PEROXIDASE.		4.67110chalcogen;
nonmetal atom		micronutrient
tellurium
Tellurium: An element that is a member of the chalcogen family. It has the atomic symbol Te, atomic number 52, and atomic weight 127.60. It has been used as a coloring agent and in the manufacture of electrical equipment. Exposure may cause nausea, vomiting, and CNS depression.		3.1610chalcogen;
metalloid atom
boron oxide
boron oxide: RN given refers to B2O3		7.0810boron oxide
polonium
Polonium: A radioactive element that is a member of the chalcogen family. It has the atomic symbol Po, atomic number 84, and the atomic weight of the isotope with the longest half-life (209Po) is 208.98. It decays by alpha-emission.. polonium atom : A radioactive metallic element discovered in 1898 by Marie Sklodowska Curie and named after her home country, Poland (Latin Polonia).		1.9410chalcogen;
metal atom
oxalates
Oxalates: Derivatives of OXALIC ACID. Included under this heading are a broad variety of acid forms, salts, esters, and amides that are derived from the ethanedioic acid structure.		3.4820
octadecylsilane
[no description available]		2.7830
antimycin a
Antimycin A: An antibiotic substance produced by Streptomyces species. It inhibits mitochondrial respiration and may deplete cellular levels of ATP. Antimycin A1 has been used as a fungicide, insecticide, and miticide. (From Merck Index, 12th ed). antimycin A : A nine-membered bis-lactone having methyl substituents at the 2- and 6-positions, an n-hexyl substituent at the 8-position, an acyloxy substituent at the 7-position and an aroylamido substituent at the 3-position. It is produced by Streptomyces bacteria and has found commercial use as a fish poison.		1.9410amidobenzoic acid
guaiacylglycerol-beta-guaiacyl ether
guaiacylglycerol-beta-guaiacyl ether: structure given in first source. guaiacylglycerol-beta-guaiacyl ether : A glycerol ether in which guaiacyl and guaiacylglycerol subunits are joined by an arylglycerol-beta-aryl (beta-O-4) linkage.		2.0310glycerol ether
aspartyllysine
aspartyllysine: from feces of axenic mice. Asp-Lys : A dipeptide formed from L-alpha-aspartyl and L-lysine residues.		1.9910dipeptidemetabolite
pregnanediol
[no description available]		210
stanozolol
anabol: preparation isolated from membranes of Lactobacillus bulgaricus; RN from Toxlit 4/88		1.9710
cobalt oxide
[no description available]		2.920
cholestanol
Cholestanol: A cholesterol derivative found in human feces, gallstones, eggs, and other biological matter.		2.110cholestanoid
1-palmitoyl-2-oleoylphosphatidylcholine
1-palmitoyl-2-oleoylphosphatidylcholine: RN given refers to (Z)-isomer		2.4520
vitamin a2
vitamin A2: RN given refers to cpd without isomeric designation. all-trans-3,4-didehydroretinol : A retinoid derived from 3,4-desaturation of the beta-ionone ring of all-trans-retinol.		2.0410retinoid;
vitamin A		human xenobiotic metabolite;
marine xenobiotic metabolite;
mouse metabolite
nitrocefin
nitrocefin: chromogenic cephalosporin used for detection of beta-lactamase activity; Cefinase is name for nitrocefin on paper disc; RN given refers to (6R-(3(E),6 alpha,7 beta))-isomer; structure for mono-Na salt in second source		2.0810
corrin
corrin : A tetrapyrrole fundamental parent that is the core macrocycle of vitamin B12.		2.2510
oxepins
Oxepins: Compounds based on a 7-membered heterocyclic ring including an oxygen. They can be considered a medium ring ether. A natural source is the MONTANOA plant genus. Some dibenzo-dioxepins, called depsidones, are found in GARCINIA plants.		8.1550
nifuroxime
5-nitro-2-furaldehyde oxime: structure in first source		2.4220
verlukast
verlukast: LTD4 receptor antagonist		1.9910
glucoraphanin
glucoraphanin: precursor of sulforaphane. glucoraphanin : A thia-glucosinolic acid that is glucoerucin in which the sulfur atom of the methyl thioether group has been oxidised to the corresponding sulfoxide.		3.4611sulfoxide;
thia-alkylglucosinolic acid
nitrofurantoin
Nitrofurantoin: A urinary anti-infective agent effective against most gram-positive and gram-negative organisms. Although sulfonamides and antibiotics are usually the agents of choice for urinary tract infections, nitrofurantoin is widely used for prophylaxis and long-term suppression.. nitrofurantoin : An imidazolidine-2,4-dione that is hydantoin substituted at position 1 by a [(5-nitro-2-furyl)methylene]amino group. An antibiotic that damages bacterial DNA.		210imidazolidine-2,4-dione;
nitrofuran antibiotic;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic		antibacterial drug;
antiinfective agent;
hepatotoxic agent
nifurtimox
Nifurtimox: A nitrofuran thiazine that has been used against TRYPANOSOMIASIS.		2.0210nitrofuran antibiotic
shellac
shellac: RN given refers to parent cpd		2.0410
ergoline
Ergolines: A series of structurally-related alkaloids that contain the ergoline backbone structure.. ergoline : An indole alkaloid whose structural skeleton is found in many naturally occurring and synthetic ergolines which are known to bind to neurotransmitter receptors, such as dopamine, noradrenaline and serotonin receptors and function as unselective agonists or antagonists at these receptors.		1.9410diamine;
ergoline alkaloid;
indole alkaloid fundamental parent;
indole alkaloid;
organic heterotetracyclic compound
sq-23377
Ionomycin: A divalent calcium ionophore that is widely used as a tool to investigate the role of intracellular calcium in cellular processes.. ionomycin : A very long-chain fatty acid that is docosa-10,16-dienoic acid which is substituted by methyl groups at positions 4, 6, 8, 12, 14, 18 and 20, by hydroxy groups at positions 11, 19 and 21, and by a (2',5-dimethyloctahydro-2,2'-bifuran-5-yl)ethanol group at position 21. An ionophore produced by Streptomyces conglobatus, it is used in research to raise the intracellular level of Ca(2+) and as a research tool to understand Ca(2+) transport across biological membranes.		2.0410cyclic ether;
enol;
polyunsaturated fatty acid;
very long-chain fatty acid		calcium ionophore;
metabolite
rebaudioside a
rebaudioside A: glucoside isolated from the leaves of the paraguayan shrub, Stevia rebaudiana; has taste properties superior to stevioside; structure in first source. rebaudioside A : A rebaudioside that is rubusoside in which the hydroxy groups at positions 3 and 4 of the beta-D-glucopyranosyloxy group at the 13alpha position have both been converted to the corresponding beta-D-glucopyranoside.		2.1510beta-D-glucoside;
rebaudioside;
tetracyclic diterpenoid		sweetening agent
tryptophanol
tryptophanol: RN given refers to cpd without isomeric designation		2.0310
2,9-dicarboxy-1,10-phenanthroline
1,10-phenanthroline-2,9-dicarboxylic acid: structure in first source		2.0510
ferrihydrite
ferric oxyhydroxide: an antiferromagnetic material; constitutes the core of natural ferritin; mol form 5Fe2O3.9H2O		2.110
nu 7026
2-(morpholin-4-yl)benzo(h)chromen-4-one: a radiosensitizing agent that inhibits DNA-dependent protein kinase; structure in first source		2.0810organic heterotricyclic compound;
organooxygen compound
mocetinostat
mocetinostat: undergoing phase II clinical trials for treatment of cancer. mocetinostat : A benzamide obtained by formal condensation of the carboxy group of 4-({[4-(pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzoic acid with one of the amino groups of benzene-1,2-diamine. It is an orally active and isotype-selective HDAC inhibitor which exhibits antitumour activity (IC50 = 0.15, 0.29, 1.66 and 0.59 muM for HDAC1, HDAC2, HDAC3 and HDAC11).		6.61280aminopyrimidine;
benzamides;
pyridines;
secondary amino compound;
secondary carboxamide;
substituted aniline		antineoplastic agent;
apoptosis inducer;
autophagy inducer;
cardioprotective agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
hepatotoxic agent
zeolites
[no description available]		6.05340
aluminum oxide
Aluminum Oxide: An oxide of aluminum, occurring in nature as various minerals such as bauxite, corundum, etc. It is used as an adsorbent, desiccating agent, and catalyst, and in the manufacture of dental cements and refractories.		6.38121
phosphoramidite
phosphoramidite: structure in first source. phosphoramidite : A compound with the general formula (RO)2PNR2. Phosphoramidites can be regarded as phosphites that have an NR2 instead of an OH group, or as amides of phosphorous acid.		2.7430
jaspaquinol
jaspaquinol: structure in first source		2.0210
tolfenpyrad
tolfenpyrad: insecticide; structure in first source. tolfenpyrad : An aromatic amide obtained by formal condensation of the carboxy group of 4-chloro-3-ethyl-1-methylpyrazole-5-carboxylic acid with the amino group of 1-[4-(4-methylphenoxy)phenyl]methylamine.		2.0710aromatic amide;
aromatic ether;
organochlorine compound;
pyrazole insecticide		agrochemical;
antifungal agent;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor;
mitochondrial NADH:ubiquinone reductase inhibitor
oxadiazoles
Oxadiazoles: Compounds containing five-membered heteroaromatic rings containing two carbons, two nitrogens, and one oxygen atom which exist in various regioisomeric forms.		2.4220
sch 442416
SCH 442416: an adenosine A2A receptor ligand		2.0410triazolopyrimidines
apicularen a
apicularen A: isolated from Chondromyces; structure in first source		2.0310
benzene oxide
benzene oxide: RN given refers to parent cpd		4.4210
ecteinascidin 770
ecteinascidin 770: fom the Thai tunicate Ecteinascidia thurstoni; structure in first source		2.0110
ribose
ribopyranose : The pyranose form of ribose.		7.0710D-ribose;
ribopyranose
decabromodiphenyl ethane
decabromodiphenyl ethane: structure in first source		2.610
molybdenum carbide
molybdenum carbide: catalyst for the hydrodeoxygenation of vegetable oils		2.0810
acebutolol
alpha-D-glucosyl-(1->4)-alpha-D-mannose : An alpha-D-glucosyl-(1->4)-D-mannopyranose in which the anomeric hydroxy group has alpha configuration.		2.3620alpha-D-glucosyl-(1->4)-D-mannopyranose
phenylnitrene
[no description available]		2.0510
nystatin a1
Nystatin: Macrolide antifungal antibiotic complex produced by Streptomyces noursei, S. aureus, and other Streptomyces species. The biologically active components of the complex are nystatin A1, A2, and A3.. nystatin : A heterogeneous mixture of polyene compounds produced by cultures of Streptomyces noursei. It mainly consists of three biologically active components designated nystatin A1, nystatin A2, and nystatin A3. It is used to treat oral and dermal fungal infections.. nystatin A1 : A polyene macrolide antibiotic; part of the nystatin complex produced by several Streptomyces species. It is an antifungal antibiotic used for the treatment of topical fungal infections caused by a broad spectrum of fungal pathogens comprising yeast-like and filamentous species.		1.9410nystatins
carfilzomib
[no description available]		4.811epoxide;
morpholines;
tetrapeptide		antineoplastic agent;
proteasome inhibitor
pyrazolo(1,5-a)pyrimidine
pyrazolo(1,5-a)pyrimidine: structure in first source		2.0410
losartan potassium
Erythropoietin: Glycoprotein hormone, secreted chiefly by the KIDNEY in the adult and the LIVER in the FETUS, that acts on erythroid stem cells of the BONE MARROW to stimulate proliferation and differentiation.		2.8940
ochromycinone
ochromycinone: structure in first source		2.0210
empagliflozin
[no description available]		4.811aromatic ether;
C-glycosyl compound;
monochlorobenzenes;
tetrahydrofuryl ether		hypoglycemic agent;
sodium-glucose transport protein subtype 2 inhibitor
bacteriochlorophylls
Bacteriochlorophyll A: A specific bacteriochlorophyll that is similar in structure to chlorophyll a.. bacteriochlorophyll : Chlorophylls of photosynthetic bacteria.		2.0610bacteriochlorophyll;
methyl ester
calcimycin
Calcimycin: An ionophorous, polyether antibiotic from Streptomyces chartreusensis. It binds and transports CALCIUM and other divalent cations across membranes and uncouples oxidative phosphorylation while inhibiting ATPase of rat liver mitochondria. The substance is used mostly as a biochemical tool to study the role of divalent cations in various biological systems.		5.322benzoxazole
scopolamine hydrobromide
[no description available]		2.3620
pituitrin
Pituitrin: A substance or extract from the neurohypophysis (PITUITARY GLAND, POSTERIOR).		1.9310
resorcinarene
resorcinarene: structure in first source		2.0610
phytosterols
Phytosterols: A class of organic compounds known as sterols or STEROIDS derived from plants.. phytosterols : Sterols similar to cholesterol which occur in plants and vary only in carbon side chains and/or presence or absence of a double bond.		1.9510
enerbol
Life: The state that distinguishes organisms from inorganic matter, manifested by growth, metabolism, reproduction, and adaptation. It includes the course of existence, the sum of experiences, the mode of existing, or the fact of being. Over the centuries inquiries into the nature of life have crossed the boundaries from philosophy to biology, forensic medicine, anthropology, etc., in creative as well as scientific literature. (Random House Unabridged Dictionary, 2d ed; Dr. James H. Cassedy, NLM History of Medicine Division)		3.2310
ethidium homodimer-1
[no description available]		2.0510
neoxanthin
neoxanthin: one of the main carotenoids in chloroplasts of higher plants and algae; RN given refers to (9'-cis)-isomer. neoxanthin : An epoxycarotenoid that is 6,7-didehydro-5,5',6,6'-tetrahydro-5',6'-epoxy-beta,beta-carotene which is substituted by hydroxy groups at the 3, 3', and 5 positions.		2.1710
acid phosphatase
Acid Phosphatase: An enzyme that catalyzes the conversion of an orthophosphoric monoester and water to an alcohol and orthophosphate. EC 3.1.3.2.		4.3200
fomblin y 04
fomblin Y 04: structure		2.0210
aflatoxin g1
aflatoxin G1: RN given refers to (7aR-cis)-isomer & is from 9th CI Form Index		1.9410
2-deoxyinosose
2-deoxyinosose: structure given in first source; an early intermediate in the biosynthesis of 2-deoxystreptamine		2.1710
thiacalix(4)arene
thiacalix(4)arene: structure in first source		2.3110
perylenetetracarboxylic diimide
perylenetetracarboxylic diimide: structure in first source		2.0610
angustureine
angustureine: from Galipea officinalis; structure in first source		2.0410
nad
NAD(1-) : An anionic form of nicotinamide adenine dinucleotide arising from deprotonation of the two OH groups of the diphosphate moiety.		4.35210organophosphate oxoanioncofactor;
human metabolite;
hydrogen acceptor;
Saccharomyces cerevisiae metabolite
cytochrome c-t
Cytochromes c: Cytochromes of the c type that are found in eukaryotic MITOCHONDRIA. They serve as redox intermediates that accept electrons from MITOCHONDRIAL ELECTRON TRANSPORT COMPLEX III and transfer them to MITOCHONDRIAL ELECTRON TRANSPORT COMPLEX IV.		2.4720
cruentaren a
cruentaren A: an antifungal agent isolated from Byssovorax cruenta; structure in first source		2.0310macrolide
fullerene c70
[no description available]		2.0410fullerene
gastrins
Gastrins: A family of gastrointestinal peptide hormones that excite the secretion of GASTRIC JUICE. They may also occur in the central nervous system where they are presumed to be neurotransmitters.		1.9510
gramicidin a
Gramicidin: A group of peptide antibiotics from BACILLUS brevis. Gramicidin C or S is a cyclic, ten-amino acid polypeptide and gramicidins A, B, D are linear. Gramicidin is one of the two principal components of TYROTHRICIN.		1.9810
tannins
Tannins: Polyphenolic compounds with molecular weights of around 500-3000 daltons and containing enough hydroxyl groups (1-2 per 100 MW) for effective cross linking of other compounds (ASTRINGENTS). The two main types are HYDROLYZABLE TANNINS and CONDENSED TANNINS. Historically, the term has applied to many compounds and plant extracts able to render skin COLLAGEN impervious to degradation. The word tannin derives from the Celtic word for OAK TREE which was used for leather processing.		2.6330
oligonucleotides
[no description available]		2.730
complestatin
complestatin: compound extracted from Streptomyces lavendulae mycelia; on acid hydrolysis yields D-4-hydroxyphenylglycine & D-3,5-dichloro-4-hydroxyphenylglycine & acidic chromophore; inhibits gp120-CD4 binding. isocomplestatin : A heterodetic cyclic peptide which is a atropisomer of complestatin. It is isolated from the culture broth of Streptomyces and has anti-HIV-1 activity.. chloropeptin II : A heterodetic cyclic peptide consisting of N-acylated trytophan, 3,5-dichloro-4-hydroxyphenylglycine, 4-hydroxyphenylglycine, 3,5-dichloro-4-hydroxyphenylglycyl, tyrosine and 4-hydroxyphenylglycine residues joined in sequence and in which the side-chain of the central 4-hydroxyphenylglycine residue is attached to the side-chain of the tryptophan via a C3-C6 bond and to the side-chain of the tyrosine via an ether bond from C5. It is isolated from the culture broth of Streptomyces and has anti-HIV-1 activity.		2.0710cyclic ether;
heterodetic cyclic peptide;
indoles;
organic heterobicyclic compound;
organochlorine compound;
peptide antibiotic;
polyphenol		anti-HIV-1 agent;
antimicrobial agent;
HIV-1 integrase inhibitor;
metabolite
cellulose
DEAE-Cellulose: Cellulose derivative used in chromatography, as ion-exchange material, and for various industrial applications.		6.45131glycoside
perovskite
calcium titanate : A calcium salt with the formula CaTiO3, generally obtained in the form of the mineral perovskite.		7.1310
phosphatidylcholines
Phosphatidylcholines: Derivatives of PHOSPHATIDIC ACIDS in which the phosphoric acid is bound in ester linkage to a CHOLINE moiety.		4.261901,2-diacyl-sn-glycero-3-phosphocholine
chlorophyll a
Chlorophyll: Porphyrin derivatives containing magnesium that act to convert light energy in photosynthetic organisms.. chlorophyll : A family of magnesium porphyrins, defined by the presence of a fifth ring beyond the four pyrrole-like rings. The rings can have various side chains which usually include a long phytol chain.		9.94120chlorophyll;
methyl ester		cofactor
vendex
Torque: The rotational force about an axis that is equal to the product of a force times the distance from the axis where the force is applied.		2.110organotin acaricide
bi(otf)3
Bi(OTf)3: structure in first source		7.1110
cordierite
cordierite: contains magnesium, aluminum oxides, and silicon oxides		7.1310
hoe 33342
bisbenzimide ethoxide trihydrochloride: benzimidazole fluorescent dye		210
jsh 23
4-methyl-N1-(3-phenylpropyl)benzene-1,2-diamine: structure in first source. JSH-23 : A diamine that is 1,2-phenylenediamine carrying a methyl substituent at position 4 and a 3-phenylpropyl substituent at position N1.		2.2110diamine;
substituted aniline		NF-kappaB inhibitor
sodium salicylate
[no description available]		1.9510organic molecular entity
ubiquinone
Ubiquinone: A lipid-soluble benzoquinone which is involved in ELECTRON TRANSPORT in mitochondrial preparations. The compound occurs in the majority of aerobic organisms, from bacteria to higher plants and animals.		3.4620
1,2-azaborine
1,2-azaborine: structure in first source		2.0610
calpain
Calpain: Cysteine proteinase found in many tissues. Hydrolyzes a variety of endogenous proteins including NEUROPEPTIDES; CYTOSKELETAL PROTEINS; proteins from SMOOTH MUSCLE; CARDIAC MUSCLE; liver; platelets; and erythrocytes. Two subclasses having high and low calcium sensitivity are known. Removes Z-discs and M-lines from myofibrils. Activates phosphorylase kinase and cyclic nucleotide-independent protein kinase. This enzyme was formerly listed as EC 3.4.22.4.		7.3920
sapogenins
Sapogenins: The aglucon moiety of a saponin molecule. It may be triterpenoid or steroid, usually spirostan, in nature.		2.1710
ozocerite
[no description available]		1.9210
chitosan
[no description available]		3.4670
mitindomide
mitindomide: structure given in first source		6.9610
azuletil sodium
sodium 3-ethyl-7-isopropyl-1-azulenesulfonate: structure in first source. egualen sodium : An organic sodium salt having 3-ethyl-7-isopropylazulene-1-sulfonate as the counterion. Used for treatment of gastric ulcers.		210organic sodium salt;
organosulfonate salt		anti-ulcer drug;
thromboxane A2 antagonist
bucladesine
Bucladesine: A cyclic nucleotide derivative that mimics the action of endogenous CYCLIC AMP and is capable of permeating the cell membrane. It has vasodilator properties and is used as a cardiac stimulant. (From Merck Index, 11th ed). bucladesine : A 3',5'-cyclic purine nucleotide that is the 2'-butanoate ester and 6-N-butanoyl derivative of 3',5'-cyclic AMP.		1.95103',5'-cyclic purine nucleotide
lithium perchlorate
lithium perchlorate: stabilizes DNA-polycation complex; RN given refers to parent compound		1.9710
sodium hypochlorite
Sodium Hypochlorite: It is used as an oxidizing and bleaching agent and as a disinfectant. (From Grant & Hackh's Chemical Dictionary, 5th ed). sodium hypochlorite : An inorganic sodium salt in which hypochlorite is the counterion. It is used as a bleaching and disinfecting agent and is commonly found in household bleach.		7.0810inorganic sodium saltbleaching agent;
disinfectant
sodium bisulfite
sodium bisulfite: has been used externally for parasitic skin diseases and as gastrointestinal antiseptic; structure. sodium hydrogensulfite : An inorganic sodium salt having hydrogensulfite as the counterion.		2.0610inorganic sodium salt;
sulfite salt		allergen;
food antioxidant;
food colour retention agent;
mutagen;
reducing agent
methyl orange
methyl orange: indictor of pH with strong acids & bases; also used as reagent to form ion pairs with, and thereby isolate, certain compounds from biological material; minor descriptor (75-86); on-line & INDEX MEDICUS search AZO COMPOUNDS (75-86); file maintained to Azo cpds		2.0810
stearates
Stearates: Salts and esters of the 18-carbon saturated, monocarboxylic acid--stearic acid.		3.0550
4-sulfophenylmethallyl ether
[no description available]		2.1310
sodium ethylxanthate
Sex: The totality of characteristics of reproductive structure, functions, PHENOTYPE, and GENOTYPE, differentiating the MALE from the FEMALE organism.		3.0450
chiniofon
Hydroxyquinolines: The 8-hydroxy derivatives inhibit various enzymes and their halogenated derivatives, though neurotoxic, are used as topical anti-infective agents, among other uses.		2.4120
s-adenosylmethionine
(R)-S-adenosyl-L-methionine : An S-adenosyl-L-methionine that has R-configuration.. S-adenosyl-L-methionine zwitterion : A zwitterionic tautomer of S-adenosyl-L-methionine arising from shift of the proton from the carboxy group to the amino group.. (R)-S-adenosyl-L-methionine zwitterion : An S-adenosyl-L-methionine zwitterion that has R-configuration; major species at pH 7.3.. (S)-S-adenosyl-L-methionine zwitterion : An S-adenosyl-L-methionine zwitterion that has S-configuration; major species at pH 7.3.. S-adenosyl-L-methionine : A sulfonium compound that is the S-adenosyl derivative of L-methionine. It is an intermediate in the metabolic pathway of methionine.		1.9510organic cation;
sulfonium compound		coenzyme;
cofactor;
human metabolite;
micronutrient;
Mycoplasma genitalium metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite
uridine diphosphate n-acetylmuramic acid
Uridine Diphosphate N-Acetylmuramic Acid: A nucleoside diphosphate sugar which is formed from UDP-N-acetylglucosamine and phosphoenolpyruvate. It serves as the building block upon which peptidoglycan is formed.. UDP-N-acetyl-alpha-D-muramate(3-) : A UDP-N-acetyl-D-muramate(3-) in which the anomeric centre of the pyranose fragment has alpha-configuration.		2.1310UDP-N-acetylmuramate(3-)
picrotoxin
Picrotoxin: A noncompetitive antagonist at GABA-A receptors and thus a convulsant. Picrotoxin blocks the GAMMA-AMINOBUTYRIC ACID-activated chloride ionophore. Although it is most often used as a research tool, it has been used as a CNS stimulant and an antidote in poisoning by CNS depressants, especially the barbiturates.. picrotoxin : A mixture consisting of equimolar amounts of picrotoxinin and picrotin found in the climbing plant Anamirta cocculus.		1.9410
florbetapir f 18
florbetapir: a PET agent for Abeta plaques; structure in first source. florbetapir F-18 : An aromatic ether consisting of a pyridine ring substituted at position 2 by a 2-{2-[2-((18)F)fluoroethoxy]ethoxy}ethoxy group and at position 5 and a 2-(4-methylaminophenyl)vinyl group. A positron emission tomography imaging ligand for the detection of amyloid aggregation associated with Alzheimer disease.		2.0510(18)F radiopharmaceutical;
aromatic ether;
organofluorine compound;
pyridines;
substituted aniline		radioactive imaging agent
niraparib
niraparib: structure in first source. niraparib : A 2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide that has S-configuration. It is a potent inhibitor of PARP1 and PARP2 (IC50 of 3.8 and 2.1 nM, respectively) and approved as a first-line maintenance treatment for women with advanced ovarian cancer after responding to platinum-based chemotherapy.		4.8112-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamideantineoplastic agent;
apoptosis inducer;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
radiosensitizing agent
4,4-difluoro-4-bora-3a,4a-diaza-s-indacene
[no description available]		2.5720BODIPY compound
cardiovascular agents
Cardiovascular Agents: Agents that affect the rate or intensity of cardiac contraction, blood vessel diameter, or blood volume.		2.8440
nitrogenase
Nitrogenase: An enzyme system that catalyzes the fixing of nitrogen in soil bacteria and blue-green algae (CYANOBACTERIA). EC 1.18.6.1.		3.1210
11,12-epoxy-5,8,14-eicosatrienoic acid
11,12-epoxy-5,8,14-eicosatrienoic acid: RN given refers to cpd without isomeric designation. (11S,12R)-EET : An 11,12-EET in which the epoxy moiety has 11S,12R-configuration.. 11,12-EET : An EET obtained by formal epoxidation of the 11,12-double bond of arachidonic acid.		2.151011,12-EEThuman xenobiotic metabolite
peptones
Peptones: Derived proteins or mixtures of cleavage products produced by the partial hydrolysis of a native protein either by an acid or by an enzyme. Peptones are readily soluble in water, and are not precipitable by heat, by alkalis, or by saturation with ammonium sulfate. (Dorland, 28th ed)		2.420
plx4032
[no description available]		4.811aromatic ketone;
difluorobenzene;
monochlorobenzenes;
pyrrolopyridine;
sulfonamide		antineoplastic agent;
B-Raf inhibitor
urushiol
[no description available]		6.9710
glycolipids
[no description available]		4.1850
piperidines
Piperidines: A family of hexahydropyridines.		6.0891
interleukin-8
Interleukin-8: A member of the CXC chemokine family that plays a role in the regulation of the acute inflammatory response. It is secreted by variety of cell types and induces CHEMOTAXIS of NEUTROPHILS and other inflammatory cells.		840
colistin
Colistin: Cyclic polypeptide antibiotic from Bacillus colistinus. It is composed of Polymyxins E1 and E2 (or Colistins A, B, and C) which act as detergents on cell membranes. Colistin is less toxic than Polymyxin B, but otherwise similar; the methanesulfonate is used orally.. colistin : A multi-component mixture comprising mostly of colistin A (R = Me) and B (R = H), with small amounts of colistin C and other polymyxins, produced by certain strains of Bacillus polymyxa var. colistinus. An antibiotic, it is used as its sulfate salt (for oral or topical use) or as the sodium salt of the N-methylsulfonic acid derivative (the injectable form) in the treatment of severe Gram-negative infections, partiularly those due to Pseudomonas aeruginosa.		2.610
tylosin
[no description available]		2.610
phenylserine
phenylserine: structure in first source		2.0110
roseoflavin
roseoflavin: structure. roseoflavin : A benzopteridine that is riboflavin in which the methyl group at position 8 is substituted by a dimethylamino group.		2.1110benzopteridineantimicrobial agent;
bacterial metabolite
methylcellulose
Methylcellulose: Methylester of cellulose. Methylcellulose is used as an emulsifying and suspending agent in cosmetics, pharmaceutics and the chemical industry. It is used therapeutically as a bulk laxative.		2.1110
heme
Heme: The color-furnishing portion of hemoglobin. It is found free in tissues and as the prosthetic group in many hemeproteins.. ferroheme : Any iron(II)--porphyrin coordination complex.. ferroheme b : Heme b in which the iron has oxidation state +2.. heme : A heme is any tetrapyrrolic chelate of iron.		6.25280
ascorbic acid
Ascorbic Acid: A six carbon compound related to glucose. It is found naturally in citrus fruits and many vegetables. Ascorbic acid is an essential nutrient in human diets, and necessary to maintain connective tissue and bone. Its biologically active form, vitamin C, functions as a reducing agent and coenzyme in several metabolic pathways. Vitamin C is considered an antioxidant.. L-ascorbic acid : The L-enantiomer of ascorbic acid and conjugate acid of L-ascorbate.. L-ascorbate : The L-enantiomer of ascorbate and conjugate base of L-ascorbic acid, arising from selective deprotonation of the 3-hydroxy group. Required for a range of essential metabolic reactions in all animals and plants.. vitamin C : Any member of a group of vitamers that belong to the chemical structural class called butenolides that exhibit biological activity against vitamin C deficiency in animals. The vitamers include L-ascorbic acid and its salt, ionized and oxidized forms.		4.98400ascorbic acid;
vitamin C		coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent
tetracycline
Tetracycline: A naphthacene antibiotic that inhibits AMINO ACYL TRNA binding during protein synthesis.. tetracycline : A broad-spectrum polyketide antibiotic produced by the Streptomyces genus of actinobacteria.		2.8940
oxytetracycline, anhydrous
Oxytetracycline: A TETRACYCLINE analog isolated from the actinomycete STREPTOMYCES RIMOSUS and used in a wide variety of clinical conditions.. oxytetracycline : A tetracycline used for treatment of infections caused by a variety of Gram positive and Gram negative microorganisms including Mycoplasma pneumoniae, Pasteurella pestis, Escherichia coli, Haemophilus influenzae (respiratory infections), and Diplococcus pneumoniae.		2.6630
minocycline
Minocycline: A TETRACYCLINE analog, having a 7-dimethylamino and lacking the 5 methyl and hydroxyl groups, which is effective against tetracycline-resistant STAPHYLOCOCCUS infections.. minocycline : A tetracycline analogue having a dimethylamino group at position 7 and lacking the methyl and hydroxy groups at position 5.		2.0810
salicylates
Salicylates: The salts or esters of salicylic acids, or salicylate esters of an organic acid. Some of these have analgesic, antipyretic, and anti-inflammatory activities by inhibiting prostaglandin synthesis.. hydroxybenzoate : Any benzoate derivative carrying a single carboxylate group and at least one hydroxy substituent.. salicylates : Any salt or ester arising from reaction of the carboxy group of salicylic acid, or any ester resulting from the condensation of the phenolic hydroxy group of salicylic acid with an organic acid.. salicylate : A monohydroxybenzoate that is the conjugate base of salicylic acid.		5.5130monohydroxybenzoateplant metabolite
dicumarol
Dicumarol: An oral anticoagulant that interferes with the metabolism of vitamin K. It is also used in biochemical experiments as an inhibitor of reductases.		2.3820hydroxycoumarinanticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
Hsp90 inhibitor;
vitamin K antagonist
piroxicam
[no description available]		2.0110benzothiazine;
monocarboxylic acid amide;
pyridines		analgesic;
antirheumatic drug;
cyclooxygenase 1 inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
mobiflex
tenoxicam : A thienothiazine-derived monocarboxylic acid amide obtained by formal condensation of the carboxy group of 4-hydroxy-2-methylthieno[2,3-e][1,2]thiazine-3-carboxylic acid 1,1-dioxide with the amino group of 2-aminopyridine. Used for the treatment of pain and inflammation in osteoarthritis and rheumatoid arthritis. It is also indicated for short term treatment of acute musculoskeletal disorders including strains, sprains and other soft-tissue injuries.		2.4320heteroaryl hydroxy compound;
monocarboxylic acid amide;
pyridines;
thienothiazine		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
warfarin
Warfarin: An anticoagulant that acts by inhibiting the synthesis of vitamin K-dependent coagulation factors. Warfarin is indicated for the prophylaxis and/or treatment of venous thrombosis and its extension, pulmonary embolism, and atrial fibrillation with embolization. It is also used as an adjunct in the prophylaxis of systemic embolism after myocardial infarction. Warfarin is also used as a rodenticide.. warfarin : A racemate comprising equal amounts of (R)- and (S)-warfarin. Extensively used as both an anticoagulant drug and as a pesticide against rats and mice.. 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one : A member of the class of coumarins that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenyl-3-oxo-1-butyl group.		4.13160benzenes;
hydroxycoumarin;
methyl ketone
byl719
[no description available]		4.811proline derivative
kaolinite
Kaolin: The most common mineral of a group of hydrated aluminum silicates, approximately H2Al2Si2O8-H2O. It is prepared for pharmaceutical and medicinal purposes by levigating with water to remove sand, etc. (From Merck Index, 11th ed) The name is derived from Kao-ling (Chinese: high ridge), the original site. (From Grant & Hackh's Chemical Dictionary, 5th ed). kaolin : An aluminosilicate soft white mineral named after the hill in China (Kao-ling) from which it was mined for centuries. In its natural state kaolin is a white, soft powder consisting principally of the mineral kaolinite, and varying amounts of other minerals such as muscovite, quartz, feldspar, and anatase. It is used in the manufacture of china and porcelain and also widely used in the production of paper, rubber, paint, drying agents, and many other products.		2.0610aluminosilicate mineral;
mixture		antidiarrhoeal drug;
excipient
clay
Clay: A naturally-occurring rock or soil constituent characterized by particles with a diameter of less than 0.005 mm. It is composed primarily of hydrous aluminum silicates, trace amounts of metal OXIDES, and organic matter.		3.75100
bismuth oxybromide
bismuth oxybromide: bismuth oxybromide (BiOBr) nanoplate microspheres were used to remove NO in indoor air under visible light irradiation		2.1310
transforming growth factor beta
Transforming Growth Factor beta: A factor synthesized in a wide variety of tissues. It acts synergistically with TGF-alpha in inducing phenotypic transformation and can also act as a negative autocrine growth factor. TGF-beta has a potential role in embryonal development, cellular differentiation, hormone secretion, and immune function. TGF-beta is found mostly as homodimer forms of separate gene products TGF-beta1, TGF-beta2 or TGF-beta3. Heterodimers composed of TGF-beta1 and 2 (TGF-beta1.2) or of TGF-beta2 and 3 (TGF-beta2.3) have been isolated. The TGF-beta proteins are synthesized as precursor proteins.		2.110
pyrethrins
[no description available]		2.7530
rome
Rome: The capital city of Italy.. (2R)-2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol : A 2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol that has R-configuration. It is a sphingosine kinase-2 inhibitor.		4.78712-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-olEC 2.7.1.91 (sphingosine kinase) inhibitor
agar
Agar: A complex sulfated polymer of galactose units, extracted from Gelidium cartilagineum, Gracilaria confervoides, and related red algae. It is used as a gel in the preparation of solid culture media for microorganisms, as a bulk laxative, in making emulsions, and as a supporting medium for immunodiffusion and immunoelectrophoresis.. agar : A complex mixture of polysaccharides extracted from species of red algae. Its two main components are agarose and agaropectin. Agarose is the component responsible for the high-strength gelling properties of agar, while agaropectin provides the viscous properties.		2.8740
laponite
laponite: a synthesized hectorite; chemical formula in first source		2.110
cyclin d1
Cyclin D1: Protein encoded by the bcl-1 gene which plays a critical role in regulating the cell cycle. Overexpression of cyclin D1 is the result of bcl-1 rearrangement, a t(11;14) translocation, and is implicated in various neoplasms.		2.7830
chromium dioxide
chromium dioxide: magnetic particles used as solid support in immunoassay		2.110
caseins
Caseins: A mixture of related phosphoproteins occurring in milk and cheese. The group is characterized as one of the most nutritive milk proteins, containing all of the common amino acids and rich in the essential ones.		1.9410
phthalocyanine
phthalocyanine : A tetrapyrrole fundamental parent that consists of four isoindole-type units, with the connecting carbon atoms in the macrocycle replaced by nitrogen.		2.9540phthalocyanines;
tetrapyrrole fundamental parent
nitrophenols
Nitrophenols: PHENOLS carrying nitro group substituents.		3.5790
cobamamide
cobamamide : A member of the class of cobalamins that is vitamin B12 in which the cyano group is replaced by a 5'-deoxyadenos-5'-yl moiety. It is one of the two metabolically active form of vitamin B12.		210
tris(4-bromophenyl)ammoniumyl hexachloroantimonate
tris(4-bromophenyl)ammoniumyl hexachloroantimonate: structure given in first source; used to activate thioglycosides towards glycosylation; do not confuse with BAHA cpd		2.2510
2,3,5-(triglutathion-s-yl)hydroquinone
[no description available]		210
yuremamine
Yuremamine: from the stem bark of Mimosa tenuiflora; structure in first source		2.1310
aldrin
Aldrin: A highly poisonous substance that was formerly used as an insecticide. The manufacture and use has been discontinued in the U.S. (From Merck Index, 11th ed). aldrin : An organochlorine compound resulting from the Diels-Alder reaction of hexachlorocyclopentadiene with norbornadiene. A proinsecticide (by epoxidation of the non-chlorinated double bond to give dieldrin), it was widely used as an insecticide before being banned in the 1970s as a persistent organic pollutant.		2.0210
vitamin b 12
Vitamin B 12: A cobalt-containing coordination compound produced by intestinal micro-organisms and found also in soil and water. Higher plants do not concentrate vitamin B 12 from the soil and so are a poor source of the substance as compared with animal tissues. INTRINSIC FACTOR is important for the assimilation of vitamin B 12.		3.4480
butirosin sulfate
Butirosin Sulfate: A water-soluble aminoglycosidic antibiotic complex isolated from fermentation filtrates of Bacillus circulans. Two components (A and B) have been separated from the complex. Both are active against many gram-positive and some gram-negative bacteria.		2.1710
cyclosporine
Cyclosporine: A cyclic undecapeptide from an extract of soil fungi. It is a powerful immunosupressant with a specific action on T-lymphocytes. It is used for the prophylaxis of graft rejection in organ and tissue transplantation. (From Martindale, The Extra Pharmacopoeia, 30th ed).		2.7130
flavin mononucleotide
Flavin Mononucleotide: A coenzyme for a number of oxidative enzymes including NADH DEHYDROGENASE. It is the principal form in which RIBOFLAVIN is found in cells and tissues.		2.0510
digitonin
Digitonin: A glycoside obtained from Digitalis purpurea; the aglycone is digitogenin which is bound to five sugars. Digitonin solubilizes lipids, especially in membranes and is used as a tool in cellular biochemistry, and reagent for precipitating cholesterol. It has no cardiac effects.. digitonin : A spirostanyl glycoside that is digitogenin in which the 3-hydroxy group is substituted by a beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->3)]-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranosyl group. It is a steroidal saponin isolated from the foxglove plant, Digitalis purpurea. It is used extensively as a mild non-ionic detergent for extracting proteins from membranes for structure and function studies.		1.9410
muramidase
Muramidase: A basic enzyme that is present in saliva, tears, egg white, and many animal fluids. It functions as an antibacterial agent. The enzyme catalyzes the hydrolysis of 1,4-beta-linkages between N-acetylmuramic acid and N-acetyl-D-glucosamine residues in peptidoglycan and between N-acetyl-D-glucosamine residues in chitodextrin. EC 3.2.1.17.		4.32190
cyclolinopeptide a
cyclolinopeptide A: structure given in first source; cyclic nonapeptide; isolated from linseed oil		6.9810
amyloid beta-peptides
amyloid beta-protein (1-40): although acutely neurotoxic in both rat & monkey cerebral cortex, neuronal degeneration in primates resembles more closely to that found in Alzheimer's disease; amino acid sequence has been determined		2.0110
chondroitin sulfates
Chondroitin Sulfates: Derivatives of chondroitin which have a sulfate moiety esterified to the galactosamine moiety of chondroitin. Chondroitin sulfate A, or chondroitin 4-sulfate, and chondroitin sulfate C, or chondroitin 6-sulfate, have the sulfate esterified in the 4- and 6-positions, respectively. Chondroitin sulfate B (beta heparin; DERMATAN SULFATE) is a misnomer and this compound is not a true chondroitin sulfate.		210
exudates
Malaysia: A parliamentary democracy with a constitutional monarch in southeast Asia, consisting of 11 states (West Malaysia) on the Malay Peninsula and two states (East Malaysia) on the island of BORNEO. It is also called the Federation of Malaysia. Its capital is Kuala Lumpur. Before 1963 it was the Union of Malaya. It reorganized in 1948 as the Federation of Malaya, becoming independent from British Malaya in 1957 and becoming Malaysia in 1963 as a federation of Malaya, Sabah, Sarawak, and Singapore (which seceded in 1965). The form Malay- probably derives from the Tamil malay, mountain, with reference to its geography. (From Webster's New Geographical Dictionary, 1988, p715 & Room, Brewer's Dictionary of Names, 1992, p329)		2.4110
acyclovir
Acyclovir: A GUANOSINE analog that acts as an antimetabolite. Viruses are especially susceptible. Used especially against herpes.. acyclovir : An oxopurine that is guanine substituted by a (2-hydroxyethoxy)methyl substituent at position 9. Used in the treatment of viral infections.		2.42202-aminopurines;
oxopurine		antimetabolite;
antiviral drug
levoleucovorin
Levoleucovorin: A folate analog consisting of the pharmacologically active isomer of LEUCOVORIN.. (6S)-5-formyltetrahydrofolic acid : The pharmacologically active (6S)-stereoisomer of 5-formyltetrahydrofolic acid.		1.94105-formyltetrahydrofolic acidantineoplastic agent;
metabolite
molybdenum cofactor
pyranopterin: structure in first source. pyranopterin : An organic heterotricyclic compound that consists of a pterin ring system having a pyran ring ortho-fused at any position.. molybdopterin : A molybdopterin that is the O-phospho derivative of [(5aR,8R,9aR)-2-amino-4-oxo-6,7-disulfanyl-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methanol.		2.1510molybdopterins
deoxyguanosine
[no description available]		6.2250purine 2'-deoxyribonucleoside;
purines 2'-deoxy-D-ribonucleoside		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
2'-deoxyguanosine 5'-phosphate
2'-deoxyguanosine 5'-phosphate: RN given refers to parent cpd.. 2'-deoxyguanosine 5'-monophosphate : A purine 2'-deoxyribonucleoside 5'-monophosphate having guanine as the nucleobase.		2.0710deoxyguanosine phosphate;
guanyl deoxyribonucleotide;
purine 2'-deoxyribonucleoside 5'-monophosphate		Escherichia coli metabolite;
mouse metabolite
guanosine triphosphate
Guanosine Triphosphate: Guanosine 5'-(tetrahydrogen triphosphate). A guanine nucleotide containing three phosphate groups esterified to the sugar moiety.		7.6630guanosine 5'-phosphate;
purine ribonucleoside 5'-triphosphate		Escherichia coli metabolite;
mouse metabolite;
uncoupling protein inhibitor
guanine
[no description available]		5.041302-aminopurines;
oxopurine;
purine nucleobase		algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
guanosine
ribonucleoside : Any nucleoside where the sugar component is D-ribose.		2.4620guanosines;
purines D-ribonucleoside		fundamental metabolite
hypoxanthine
[no description available]		2.0710nucleobase analogue;
oxopurine;
purine nucleobase		fundamental metabolite
folic acid
folcysteine: used to promote fertility in chickens. vitamin B9 : Any B-vitamin that exhibits biological activity against vitamin B9 deficiency. Vitamin B9 refers to the many forms of folic acid and its derivatives, including tetrahydrofolic acid (the active form), methyltetrahydrofolate (the primary form found in blood), methenyltetrahydrofolate, folinic acid amongst others. They are present in abundance in green leafy vegetables, citrus fruits, and animal products. Lack of vitamin B9 leads to anemia, a condition in which the body cannot produce sufficient number of red blood cells. Symptoms of vitamin B9 deficiency include fatigue, muscle weakness, and pale skin.		8.5590folic acids;
N-acyl-amino acid		human metabolite;
mouse metabolite;
nutrient
pheophytin a
pheophytin a: structure given in first source; RN given refers to (3S-(3alpha(2E,7S*,11S*),4beta,21beta))-isomer		3.0910
rifampin
Rifampin: A semisynthetic antibiotic produced from Streptomyces mediterranei. It has a broad antibacterial spectrum, including activity against several forms of Mycobacterium. In susceptible organisms it inhibits DNA-dependent RNA polymerase activity by forming a stable complex with the enzyme. It thus suppresses the initiation of RNA synthesis. Rifampin is bactericidal, and acts on both intracellular and extracellular organisms. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p1160)		2.0410cyclic ketal;
hydrazone;
N-iminopiperazine;
N-methylpiperazine;
rifamycins;
semisynthetic derivative;
zwitterion		angiogenesis inhibitor;
antiamoebic agent;
antineoplastic agent;
antitubercular agent;
DNA synthesis inhibitor;
EC 2.7.7.6 (RNA polymerase) inhibitor;
Escherichia coli metabolite;
geroprotector;
leprostatic drug;
neuroprotective agent;
pregnane X receptor agonist;
protein synthesis inhibitor
clozapine
Clozapine: A tricylic dibenzodiazepine, classified as an atypical antipsychotic agent. It binds several types of central nervous system receptors, and displays a unique pharmacological profile. Clozapine is a serotonin antagonist, with strong binding to 5-HT 2A/2C receptor subtype. It also displays strong affinity to several dopaminergic receptors, but shows only weak antagonism at the dopamine D2 receptor, a receptor commonly thought to modulate neuroleptic activity. Agranulocytosis is a major adverse effect associated with administration of this agent.. clozapine : A benzodiazepine that is 5H-dibenzo[b,e][1,4]diazepine substituted by a chloro group at position 8 and a 4-methylpiperazin-1-yl group at position 11. It is a second generation antipsychotic used in the treatment of psychiatric disorders like schizophrenia.		1.9610benzodiazepine;
N-arylpiperazine;
N-methylpiperazine;
organochlorine compound		adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
GABA antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
xenobiotic
ganciclovir
[no description available]		1.99102-aminopurines;
oxopurine		antiinfective agent;
antiviral drug
olanzapine
Olanzapine: A benzodiazepine derivative that binds SEROTONIN RECEPTORS; MUSCARINIC RECEPTORS; HISTAMINE H1 RECEPTORS; ADRENERGIC ALPHA-1 RECEPTORS; and DOPAMINE RECEPTORS. It is an antipsychotic agent used in the treatment of SCHIZOPHRENIA; BIPOLAR DISORDER; and MAJOR DEPRESSIVE DISORDER; it may also reduce nausea and vomiting in patients undergoing chemotherapy.. olanzapine : A benzodiazepine that is 10H-thieno[2,3-b][1,5]benzodiazepine substituted by a methyl group at position 2 and a 4-methylpiperazin-1-yl group at position 4.		2.0410benzodiazepine;
N-arylpiperazine;
N-methylpiperazine		antiemetic;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
serotonin uptake inhibitor
nolatrexed
nolatrexed: structure given in first source; RN given refers to dihydrochloride		210
allopurinol
Allopurinol: A XANTHINE OXIDASE inhibitor that decreases URIC ACID production. It also acts as an antimetabolite on some simpler organisms.. allopurinol : A bicyclic structure comprising a pyrazole ring fused to a hydroxy-substituted pyrimidine ring.		2.6530nucleobase analogue;
organic heterobicyclic compound		antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger
8-hydroxyguanosine
8-hydroxyguanosine: immunostimulant for B lymphocytes; structure given in first source		2.4620purine nucleoside
pemetrexed
pemetrexed disodium : An organic sodium salt that is the disodium salt of N-{4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamic acid. Inhibits thymidylate synthase (TS), 421 dihydrofolate reductase (DHFR), and glycinamide ribonucleotide formyltransferase (GARFT).		3.1310N-acyl-L-glutamic acid;
pyrrolopyrimidine		antimetabolite;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
EC 2.1.1.45 (thymidylate synthase) inhibitor;
EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor
8-hydroxyguanine
7,8-dihydro-8-oxoguanine: was substituted for guanine at G(8), G(9), G(14), or G(15) in the human telomeric oligonucleotide 5'-d[AGGGTTAG(8)G(9)GTT AG(14)G(15)GTTAGGGTGT]-3'. 7,8-dihydro-8-oxoguanine : An oxopurine that is guanine in which the hydrogen at position 8 is replaced by an oxo group and in which the nitrogens at positions 7 and 9 each bear a hydrogen.		2.1110oxopurine
7-hydroxyquinoline
7-hydroxyquinoline: structure in first source. quinolin-7-ol : A monohydroxyquinoline carrying a hydroxy substituent at position 7.		2.0510monohydroxyquinoline
methylnitronitrosoguanidine
Methylnitronitrosoguanidine: A nitrosoguanidine derivative with potent mutagenic and carcinogenic properties.. N-methyl-N'-nitro-N-nitrosoguanidine : An N-nitroguanidine compound having nitroso and methyl substituents at the N'-position		2.6630nitroso compoundalkylating agent
8-hydroxy-2'-deoxyguanosine
8-Hydroxy-2'-Deoxyguanosine: Common oxidized form of deoxyguanosine in which C-8 position of guanine base has a carbonyl group.. 8-hydroxy-2'-deoxyguanosine : Guanosine substituted at the purine 8-position by a hydroxy group. It is used as a biomarker of oxidative DNA damage.		5.55210guanosinesbiomarker
2'-deoxyguanosine 3'-phosphate
2'-deoxyguanosine 3'-monophosphate : A deoxyguanosine phosphate having a monophosphate group located at the 3'-position.		2.0110deoxyguanosine phosphate;
purine 2'-deoxyribonucleoside 3'-monophosphate
3,n(4)-ethanocytosine
[no description available]		210organic heterobicyclic compoundmutagen
imidacloprid
imidacloprid: systemic & contact insecticide exhibiting low mammalian toxicity; structure given in first source; it is one of the neonicotinoid insecticides, which acts as an antagonist by binding to postsynaptic nicotinic receptors in the insect central nervous system. imidacloprid : An imidazolidine that is N-nitroimidazolidin-2-imine bearing a (6-chloro-3-pyridinyl)methyl substituent at position 1.		2.0610imidacloprid;
imidazolidines;
monochloropyridine		environmental contaminant;
genotoxin;
neonicotinoid insectide;
nicotinic acetylcholine receptor agonist;
xenobiotic
n-(deoxyguanosin-8-yl)-2-aminofluorene
N-(deoxyguanosin-8-yl)-2-aminofluorene : Guanosine substituted at the purine 8-position by a (9H-fluoren-2-yl)amino group.		1.9810guanosines
n(7)-phenylguanine
[no description available]		2.6730
2,4-diaminotriazine
2,4-diaminotriazine: structure in first source		2.1110
texaphyrin
texaphyrin: structure in first source. texaphyrin : A class of synthetic expanded porphyrins with a 22 pi-electron aromatic system. They are named after the state of Texas where these compounds were first synthesised.		2.0410
eye
[no description available]		3.260
angucyclinone
angucyclinone: structure in first source		2.0210
concanavalin a
Concanavalin A: A MANNOSE/GLUCOSE binding lectin isolated from the jack bean (Canavalia ensiformis). It is a potent mitogen used to stimulate cell proliferation in lymphocytes, primarily T-lymphocyte, cultures.		2.6630
metallothionein
Metallothionein: A low-molecular-weight (approx. 10 kD) protein occurring in the cytoplasm of kidney cortex and liver. It is rich in cysteinyl residues and contains no aromatic amino acids. Metallothionein shows high affinity for bivalent heavy metals.		2.0110
vermiculite
[no description available]		2.0110
dinitrobenzenes
Dinitrobenzenes: Benzene derivatives which are substituted with two nitro groups in the ortho, meta or para positions.		4.3260
phosphorus radioisotopes
Phosphorus Radioisotopes: Unstable isotopes of phosphorus that decay or disintegrate emitting radiation. P atoms with atomic weights 28-34 except 31 are radioactive phosphorus isotopes.		3.4880
leptin
Leptin: A 16-kDa peptide hormone secreted from WHITE ADIPOCYTES. Leptin serves as a feedback signal from fat cells to the CENTRAL NERVOUS SYSTEM in regulation of food intake, energy balance, and fat storage.		4.811
pyrimidinones
Pyrimidinones: Heterocyclic compounds known as 2-pyrimidones (or 2-hydroxypyrimidines) and 4-pyrimidones (or 4-hydroxypyrimidines) with the general formula C4H4N2O.		2.0410
phenanthrenes
Phenanthrenes: POLYCYCLIC AROMATIC HYDROCARBONS composed of three fused BENZENE rings.. phenanthrenes : Any benzenoid aromatic compound that consists of a phenanthrene skeleton and its substituted derivatives thereof.		11.51360
ConditionIndicatedRelationship StrengthStudiesTrials
Aging
The gradual irreversible changes in structure and function of an organism that occur as a result of the passage of time.		09.2970
Abnormalities, Autosome
[description not available]		010.381710
Asymptomatic Conditions
[description not available]		02.3110
Cardiac Toxicity
[description not available]		02.3110
Cardiovascular Diseases
Pathological conditions involving the CARDIOVASCULAR SYSTEM including the HEART; the BLOOD VESSELS; or the PERICARDIUM.		08.8154
Cardiotoxicity
Damage to the HEART or its function secondary to exposure to toxic substances such as drugs used in CHEMOTHERAPY; IMMUNOTHERAPY; or RADIATION.		02.3110
Leucocythaemia
[description not available]		013.833820
Benign Neoplasms
[description not available]		012.182011
Leukemia
A progressive, malignant disease of the blood-forming organs, characterized by distorted proliferation and development of leukocytes and their precursors in the blood and bone marrow. Leukemias were originally termed acute or chronic based on life expectancy but now are classified according to cellular maturity. Acute leukemias consist of predominately immature cells; chronic leukemias are composed of more mature cells. (From The Merck Manual, 2006)		013.833820
Neoplasms
New abnormal growth of tissue. Malignant neoplasms show a greater degree of anaplasia and have the properties of invasion and metastasis, compared to benign neoplasms.		017.182011
Dysmyelopoietic Syndromes
[description not available]		08.35430
Myelodysplastic Syndromes
Clonal hematopoietic stem cell disorders characterized by dysplasia in one or more hematopoietic cell lineages. They predominantly affect patients over 60, are considered preleukemic conditions, and have high probability of transformation into ACUTE MYELOID LEUKEMIA.		013.35430
Cardiac Remodeling, Ventricular
[description not available]		02.3110
Cardiac Failure
[description not available]		08.0464
Heart Failure
A heterogeneous condition in which the heart is unable to pump out sufficient blood to meet the metabolic need of the body. Heart failure can be caused by structural defects, functional abnormalities (VENTRICULAR DYSFUNCTION), or a sudden overload beyond its capacity. Chronic heart failure is more common than acute heart failure which results from sudden insult to cardiac function, such as MYOCARDIAL INFARCTION.		08.0464
Diseases, Occupational
[description not available]		014.246100
Acute Myelogenous Leukemia
[description not available]		016.171191
Leukemia, Myeloid, Acute
Clonal expansion of myeloid blasts in bone marrow, blood, and other tissue. Myeloid leukemias develop from changes in cells that normally produce NEUTROPHILS; BASOPHILS; EOSINOPHILS; and MONOCYTES.		011.171191
Innate Inflammatory Response
[description not available]		09.36314
Inflammation
A pathological process characterized by injury or destruction of tissues caused by a variety of cytologic and chemical reactions. It is usually manifested by typical signs of pain, heat, redness, swelling, and loss of function.		09.36314
Low Bone Density
[description not available]		02.4110
Bone Diseases, Metabolic
Diseases that affect the METABOLIC PROCESSES of BONE TISSUE.		02.4110
Blood Poisoning
[description not available]		02.6530
Lung Injury, Acute
[description not available]		02.5320
Sepsis
Systemic inflammatory response syndrome with a proven or suspected infectious etiology. When sepsis is associated with organ dysfunction distant from the site of infection, it is called severe sepsis. When sepsis is accompanied by HYPOTENSION despite adequate fluid infusion, it is called SEPTIC SHOCK.		02.6530
Acute Lung Injury
A condition of lung damage that is characterized by bilateral pulmonary infiltrates (PULMONARY EDEMA) rich in NEUTROPHILS, and in the absence of clinical HEART FAILURE. This can represent a spectrum of pulmonary lesions, endothelial and epithelial, due to numerous factors (physical, chemical, or biological).		07.5320
Genetic Predisposition
[description not available]		015.44612
Chronic Illness
[description not available]		08.58921
Chronic Disease
Diseases which have one or more of the following characteristics: they are permanent, leave residual disability, are caused by nonreversible pathological alteration, require special training of the patient for rehabilitation, or may be expected to require a long period of supervision, observation, or care (Dictionary of Health Services Management, 2d ed). For epidemiological studies chronic disease often includes HEART DISEASES; STROKE; CANCER; and diabetes (DIABETES MELLITUS, TYPE 2).		08.58921
Poisoning
Used with drugs, chemicals, and industrial materials for human or animal poisoning, acute or chronic, whether the poisoning is accidental, occupational, suicidal, by medication error, or by environmental exposure.		07.81260
ADDH
[description not available]		02.4110
Attention Deficit Disorder with Hyperactivity
A behavior disorder originating in childhood in which the essential features are signs of developmentally inappropriate inattention, impulsivity, and hyperactivity. Although most individuals have symptoms of both inattention and hyperactivity-impulsivity, one or the other pattern may be predominant. The disorder is more frequent in males than females. Onset is in childhood. Symptoms often attenuate during late adolescence although a minority experience the full complement of symptoms into mid-adulthood. (From DSM-V)		02.4110
Cancer of Skin
[description not available]		06.64300
Skin Neoplasms
Tumors or cancer of the SKIN.		06.64300
Preterm Birth
[description not available]		08.5770
Premature Birth
CHILDBIRTH before 37 weeks of PREGNANCY (259 days from the first day of the mother's last menstrual period, or 245 days after FERTILIZATION).		03.5770
Cell Transformation, Neoplastic
Cell changes manifested by escape from control mechanisms, increased growth potential, alterations in the cell surface, karyotypic abnormalities, morphological and biochemical deviations from the norm, and other attributes conferring the ability to invade, metastasize, and kill.		07.08240
Weight Reduction
[description not available]		02.4110
Weight Loss
Decrease in existing BODY WEIGHT.		02.4110
Breast Cancer
[description not available]		09.11174
Breast Neoplasms
Tumors or cancer of the human BREAST.		09.11174
Infections, Plasmodium
[description not available]		03.840
Malaria
A protozoan disease caused in humans by four species of the PLASMODIUM genus: PLASMODIUM FALCIPARUM; PLASMODIUM VIVAX; PLASMODIUM OVALE; and PLASMODIUM MALARIAE; and transmitted by the bite of an infected female mosquito of the genus ANOPHELES. Malaria is endemic in parts of Asia, Africa, Central and South America, Oceania, and certain Caribbean islands. It is characterized by extreme exhaustion associated with paroxysms of high FEVER; SWEATING; shaking CHILLS; and ANEMIA. Malaria in ANIMALS is caused by other species of plasmodia.		08.840
Cancer of Pancreas
[description not available]		03.520
Pancreatic Neoplasms
Tumors or cancer of the PANCREAS. Depending on the types of ISLET CELLS present in the tumors, various hormones can be secreted: GLUCAGON from PANCREATIC ALPHA CELLS; INSULIN from PANCREATIC BETA CELLS; and SOMATOSTATIN from the SOMATOSTATIN-SECRETING CELLS. Most are malignant except the insulin-producing tumors (INSULINOMA).		03.520
Asthma, Bronchial
[description not available]		05.07160
Asthma
A form of bronchial disorder with three distinct components: airway hyper-responsiveness (RESPIRATORY HYPERSENSITIVITY), airway INFLAMMATION, and intermittent AIRWAY OBSTRUCTION. It is characterized by spasmodic contraction of airway smooth muscle, WHEEZING, and dyspnea (DYSPNEA, PAROXYSMAL).		05.07160
2019 Novel Coronavirus Disease
[description not available]		08.794
Carcinoma, Non-Small Cell Lung
[description not available]		05.0721
Cancer of Lung
[description not available]		010.79462
Carcinoma, Non-Small-Cell Lung
A heterogeneous aggregate of at least three distinct histological types of lung cancer, including SQUAMOUS CELL CARCINOMA; ADENOCARCINOMA; and LARGE CELL CARCINOMA. They are dealt with collectively because of their shared treatment strategy.		05.0721
Lung Neoplasms
Tumors or cancer of the LUNG.		010.79462
Pregnancy
The status during which female mammals carry their developing young (EMBRYOS or FETUSES) in utero before birth, beginning from FERTILIZATION to BIRTH.		014.211414
Carcinogenesis
The origin, production or development of cancer through genotypic and phenotypic changes which upset the normal balance between cell proliferation and cell death. Carcinogenesis generally requires a constellation of steps, which may occur quickly or over a period of many years.		09.8284
Disease Models, Animal
Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.		011.84710
Colitis
Inflammation of the COLON section of the large intestine (INTESTINE, LARGE), usually with symptoms such as DIARRHEA (often with blood and mucus), ABDOMINAL PAIN, and FEVER.		02.420
Birth Weight
The mass or quantity of heaviness of an individual at BIRTH. It is expressed by units of pounds or kilograms.		05.9100
Brain Swelling
[description not available]		02.4110
Brain Hemorrhage, Cerebral
[description not available]		03.2260
Brain Edema
Increased intracellular or extracellular fluid in brain tissue. Cytotoxic brain edema (swelling due to increased intracellular fluid) is indicative of a disturbance in cell metabolism, and is commonly associated with hypoxic or ischemic injuries (see HYPOXIA, BRAIN). An increase in extracellular fluid may be caused by increased brain capillary permeability (vasogenic edema), an osmotic gradient, local blockages in interstitial fluid pathways, or by obstruction of CSF flow (e.g., obstructive HYDROCEPHALUS). (From Childs Nerv Syst 1992 Sep; 8(6):301-6)		02.4110
Cerebral Hemorrhage
Bleeding into one or both CEREBRAL HEMISPHERES including the BASAL GANGLIA and the CEREBRAL CORTEX. It is often associated with HYPERTENSION and CRANIOCEREBRAL TRAUMA.		08.2260
Colitis, Granulomatous
[description not available]		02.4110
Crohn Disease
A chronic transmural inflammation that may involve any part of the DIGESTIVE TRACT from MOUTH to ANUS, mostly found in the ILEUM, the CECUM, and the COLON. In Crohn disease, the inflammation, extending through the intestinal wall from the MUCOSA to the serosa, is characteristically asymmetric and segmental. Epithelioid GRANULOMAS may be seen in some patients.		02.4110
Anasarca
[description not available]		03.96130
Edema
Abnormal fluid accumulation in TISSUES or body cavities. Most cases of edema are present under the SKIN in SUBCUTANEOUS TISSUE.		03.96130
Blood Pressure, High
[description not available]		02.3720
Hypertension
Persistently high systemic arterial BLOOD PRESSURE. Based on multiple readings (BLOOD PRESSURE DETERMINATION), hypertension is currently defined as when SYSTOLIC PRESSURE is consistently greater than 140 mm Hg or when DIASTOLIC PRESSURE is consistently 90 mm Hg or more.		07.3720
Encephalopathy, Toxic
[description not available]		0340
Hypertriglyceridemia
A condition of elevated levels of TRIGLYCERIDES in the blood.		02.4110
Anemia
A reduction in the number of circulating ERYTHROCYTES or in the quantity of HEMOGLOBIN.		06.35650
Cancer of Colon
[description not available]		02.7430
Colonic Neoplasms
Tumors or cancer of the COLON.		02.7430
Angiogenesis, Pathologic
[description not available]		08.1864
Carbon Monoxide Poisoning
Toxic asphyxiation due to the displacement of oxygen from oxyhemoglobin by carbon monoxide.		05.35220
Local Neoplasm Recurrence
[description not available]		05.7951
Sterility, Male
[description not available]		05.48100
Infertility, Male
The inability of the male to effect FERTILIZATION of an OVUM after a specified period of unprotected intercourse. Male sterility is permanent infertility.		05.48100
Viral Diseases
[description not available]		04.4750
Virus Diseases
A general term for diseases caused by viruses.		04.4750
Acute Liver Injury, Drug-Induced
[description not available]		08.22362
Chemical and Drug Induced Liver Injury
A spectrum of clinical liver diseases ranging from mild biochemical abnormalities to ACUTE LIVER FAILURE, caused by drugs, drug metabolites, herbal and dietary supplements and chemicals from the environment.		08.22362
Hematologic Malignancies
[description not available]		06.63190
Acute Lymphoid Leukemia
[description not available]		08.44251
Germinoblastoma
[description not available]		010.82611
Lymphoma
A general term for various neoplastic diseases of the lymphoid tissue.		010.82611
Hematologic Neoplasms
Neoplasms located in the blood and blood-forming tissue (the bone marrow and lymphatic tissue). The commonest forms are the various types of LEUKEMIA, of LYMPHOMA, and of the progressive, life-threatening forms of the MYELODYSPLASTIC SYNDROMES.		011.63190
Precursor Cell Lymphoblastic Leukemia-Lymphoma
A neoplasm characterized by abnormalities of the lymphoid cell precursors leading to excessive lymphoblasts in the marrow and other organs. It is the most common cancer in children and accounts for the vast majority of all childhood leukemias.		08.44251
Hypomelanosis
[description not available]		02.610
Vitiligo
A disorder consisting of areas of macular depigmentation, commonly on extensor aspects of extremities, on the face or neck, and in skin folds. Age of onset is often in young adulthood and the condition tends to progress gradually with lesions enlarging and extending until a quiescent state is reached.		05.1221
Hypopigmentation
A condition caused by a deficiency or a loss of melanin pigmentation in the epidermis, also known as hypomelanosis. Hypopigmentation can be localized or generalized, and may result from genetic defects, trauma, inflammation, or infections.		02.610
Chronic Insomnia
[description not available]		02.610
Sleep Initiation and Maintenance Disorders
Disorders characterized by impairment of the ability to initiate or maintain sleep. This may occur as a primary disorder or in association with another medical or psychiatric condition.		02.610
Acute Ischemic Stroke
[description not available]		02.610
Ischemic Stroke
Stroke due to BRAIN ISCHEMIA resulting in interruption or reduction of blood flow to a part of the brain. When obstruction is due to a BLOOD CLOT formed within in a cerebral blood vessel it is a thrombotic stroke. When obstruction is formed elsewhere and moved to block a cerebral blood vessel (see CEREBRAL EMBOLISM) it is referred to as embolic stroke. Wake-up stroke refers to ischemic stroke occurring during sleep while cryptogenic stroke refers to ischemic stroke of unknown origin.		02.610
Cirrhosis, Liver
[description not available]		05.3751
Liver Cirrhosis
Liver disease in which the normal microcirculation, the gross vascular anatomy, and the hepatic architecture have been variably destroyed and altered with fibrous septa surrounding regenerated or regenerating parenchymal nodules.		05.3751
Diseases, Metabolic
[description not available]		02.7230
Delayed Effects, Prenatal Exposure
[description not available]		07.02200
Metabolic Diseases
Generic term for diseases caused by an abnormal metabolic process. It can be congenital due to inherited enzyme abnormality (METABOLISM, INBORN ERRORS) or acquired due to disease of an endocrine organ or failure of a metabolically important organ such as the liver. (Stedman, 26th ed)		02.7230
Abnormality, Heart
[description not available]		02.6920
Heart Defects, Congenital
Developmental abnormalities involving structures of the heart. These defects are present at birth but may be discovered later in life.		02.6920
Group A Strep Infection
[description not available]		02.6730
Streptococcal Infections
Infections with bacteria of the genus STREPTOCOCCUS.		02.6730
Coronary Heart Disease
[description not available]		02.610
Cardiovascular Stroke
[description not available]		02.9340
Coronary Disease
An imbalance between myocardial functional requirements and the capacity of the CORONARY VESSELS to supply sufficient blood flow. It is a form of MYOCARDIAL ISCHEMIA (insufficient blood supply to the heart muscle) caused by a decreased capacity of the coronary vessels.		02.610
Myocardial Infarction
NECROSIS of the MYOCARDIUM caused by an obstruction of the blood supply to the heart (CORONARY CIRCULATION).		07.9340
Dysplastic Nevus Syndrome, Hereditary
[description not available]		02.610
Nervous System Disorders
[description not available]		04.91140
Nervous System Diseases
Diseases of the central and peripheral nervous system. This includes disorders of the brain, spinal cord, cranial nerves, peripheral nerves, nerve roots, autonomic nervous system, neuromuscular junction, and muscle.		04.91140
Anemia, Fanconi
[description not available]		02.610
Pancytopenia
Deficiency of all three cell elements of the blood, erythrocytes, leukocytes and platelets.		07.94220
Fanconi Anemia
Congenital disorder affecting all bone marrow elements, resulting in ANEMIA; LEUKOPENIA; and THROMBOPENIA, and associated with cardiac, renal, and limb malformations as well as dermal pigmentary changes. Spontaneous CHROMOSOME BREAKAGE is a feature of this disease along with predisposition to LEUKEMIA. There are at least 7 complementation groups in Fanconi anemia: FANCA, FANCB, FANCC, FANCD1, FANCD2, FANCE, FANCF, FANCG, and FANCL. (from Online Mendelian Inheritance in Man, http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=227650, August 20, 2004)		02.610
Degenerative Diseases, Central Nervous System
[description not available]		02.5420
Cognitive Decline
[description not available]		02.610
Acute Confusional Senile Dementia
[description not available]		05.17100
Alzheimer Disease
A degenerative disease of the BRAIN characterized by the insidious onset of DEMENTIA. Impairment of MEMORY, judgment, attention span, and problem solving skills are followed by severe APRAXIAS and a global loss of cognitive abilities. The condition primarily occurs after age 60, and is marked pathologically by severe cortical atrophy and the triad of SENILE PLAQUES; NEUROFIBRILLARY TANGLES; and NEUROPIL THREADS. (From Adams et al., Principles of Neurology, 6th ed, pp1049-57)		05.17100
Neurodegenerative Diseases
Hereditary and sporadic conditions which are characterized by progressive nervous system dysfunction. These disorders are often associated with atrophy of the affected central or peripheral nervous system structures.		02.5420
Cognitive Dysfunction
Diminished or impaired mental and/or intellectual function.		02.610
Overweight
A status with BODY WEIGHT that is above certain standards. In the scale of BODY MASS INDEX, overweight is defined as having a BMI of 25.0-29.9 kg/m2. Overweight may or may not be due to increases in body fat (ADIPOSE TISSUE), hence overweight does not equal over fat.		02.610
Depression
Depressive states usually of moderate intensity in contrast with MAJOR DEPRESSIVE DISORDER present in neurotic and psychotic disorders.		02.3920
Obesity
A status with BODY WEIGHT that is grossly above the recommended standards, usually due to accumulation of excess FATS in the body. The standards may vary with age, sex, genetic or cultural background. In the BODY MASS INDEX, a BMI greater than 30.0 kg/m2 is considered obese, and a BMI greater than 40.0 kg/m2 is considered morbidly obese (MORBID OBESITY).		02.9340
Bladder Cancer
[description not available]		012.05131
Urinary Bladder Neoplasms
Tumors or cancer of the URINARY BLADDER.		07.05131
Airflow Obstruction, Chronic
[description not available]		02.8530
Pulmonary Disease, Chronic Obstructive
A disease of chronic diffuse irreversible airflow obstruction. Subcategories of COPD include CHRONIC BRONCHITIS and PULMONARY EMPHYSEMA.		02.8530
Koch's Disease
[description not available]		02.8740
Tuberculosis
Any of the infectious diseases of man and other animals caused by species of MYCOBACTERIUM TUBERCULOSIS.		07.8740
Hyperoxia
An abnormal increase in the amount of oxygen in the tissues and organs.		02.610
Respiration Disorders
Diseases of the respiratory system in general or unspecified or for a specific respiratory disease not available.		02.4720
Infections, Respiratory
[description not available]		02.6930
Respiratory Tract Infections
Invasion of the host RESPIRATORY SYSTEM by microorganisms, usually leading to pathological processes or diseases.		02.6930
Sclerosis, Systemic
[description not available]		02.7430
Scleroderma, Systemic
A chronic multi-system disorder of CONNECTIVE TISSUE. It is characterized by SCLEROSIS in the SKIN, the LUNGS, the HEART, the GASTROINTESTINAL TRACT, the KIDNEYS, and the MUSCULOSKELETAL SYSTEM. Other important features include diseased small BLOOD VESSELS and AUTOANTIBODIES. The disorder is named for its most prominent feature (hard skin), and classified into subsets by the extent of skin thickening: LIMITED SCLERODERMA and DIFFUSE SCLERODERMA.		02.7430
Developmental Dysplasia of the Hip
Dislocation of the HIP JOINT from an abnormal FEMORAL HEAD to the ACETABULUM relationship. It is most often due to ligamentous laxity, abnormal positioning of the joint and various other developmental, congenital factors, and method of delivery (e.g., OLIGOHYDRAMNIOS). When dislocation is diagnosed in neonates it is referred to as CONGENITAL HIP DYSPLASIA.		02.610
Congenital Dysplasia Of The Hip
[description not available]		02.610
Diabetes Mellitus, Adult-Onset
[description not available]		05.221
Diabetes Mellitus, Type 2
A subclass of DIABETES MELLITUS that is not INSULIN-responsive or dependent (NIDDM). It is characterized initially by INSULIN RESISTANCE and HYPERINSULINEMIA; and eventually by GLUCOSE INTOLERANCE; HYPERGLYCEMIA; and overt diabetes. Type II diabetes mellitus is no longer considered a disease exclusively found in adults. Patients seldom develop KETOSIS but often exhibit OBESITY.		05.221
Blood Diseases
[description not available]		08.771120
Hematologic Diseases
Disorders of the blood and blood forming tissues.		08.771120
Diffuse Mixed Small and Large Cell Lymphoma
[description not available]		08.41500
Lymphoma, Non-Hodgkin
Any of a group of malignant tumors of lymphoid tissue that differ from HODGKIN DISEASE, being more heterogeneous with respect to malignant cell lineage, clinical course, prognosis, and therapy. The only common feature among these tumors is the absence of giant REED-STERNBERG CELLS, a characteristic of Hodgkin's disease.		08.41500
Cutaneous T-Cell Lymphoma
[description not available]		07.2510
Lymphoma, T-Cell, Cutaneous
A group of lymphomas exhibiting clonal expansion of malignant T-lymphocytes arrested at varying stages of differentiation as well as malignant infiltration of the skin. MYCOSIS FUNGOIDES; SEZARY SYNDROME; LYMPHOMATOID PAPULOSIS; and PRIMARY CUTANEOUS ANAPLASTIC LARGE CELL LYMPHOMA are the best characterized of these disorders.		02.2510
Disbacteriosis
[description not available]		02.2510
Bone Marrow Failure
[description not available]		07.2510
Bone Marrow Failure Disorders
Inherited or acquired diseases characterized by insufficient and/or dysplastic blood cells.		02.2510
Chemically-Induced Disorders
Disorders caused by the intentional or unintentional ingestion or exposure to chemical substances such as PHARMACEUTICAL PREPARATIONS; NOXAE; and PESTICIDES.		03.1710
Burns
Injuries to tissues caused by contact with heat, steam, chemicals (BURNS, CHEMICAL), electricity (BURNS, ELECTRIC), or the like.		02.2510
Liver Dysfunction
[description not available]		06.81151
Liver Diseases
Pathological processes of the LIVER.		06.81151
Diathesis
[description not available]		03.0850
Leukemia, Lymphocytic
[description not available]		07.3230
Leukemia, Lymphoid
Leukemia associated with HYPERPLASIA of the lymphoid tissues and increased numbers of circulating malignant LYMPHOCYTES and lymphoblasts.		07.3230
Metastase
[description not available]		02.2510
Neoplasm Metastasis
The transfer of a neoplasm from one organ or part of the body to another remote from the primary site.		02.2510
Anemia, Hypoplastic
[description not available]		013.441302
Anemia, Aplastic
A form of anemia in which the bone marrow fails to produce adequate numbers of peripheral blood elements.		013.441302
Disease Exacerbation
[description not available]		08.7285
Attachment Loss, Periodontal
[description not available]		04.6211
Infections, Coronavirus
[description not available]		04.6211
Chemical Dependence
[description not available]		07.03191
Cerebral Infarction, Middle Cerebral Artery
[description not available]		04.6211
Osteoarthritis of Knee
[description not available]		04.6211
Deafness, Transitory
[description not available]		04.9621
Liver Abscess, Pyogenic
Single or multiple areas of PUS due to bacterial infection within the hepatic parenchyma. It can be caused by a variety of BACTERIA, local or disseminated from infections elsewhere such as in APPENDICITIS; CHOLECYSTITIS; PERITONITIS; and after LIVER TRANSPLANTATION.		04.6211
Complications of Diabetes Mellitus
[description not available]		07.7444
Acute Kidney Failure
[description not available]		0884
Adverse Drug Event
[description not available]		06.76101
Fatty Liver, Nonalcoholic
[description not available]		04.6211
Esophageal Squamous Cell Carcinoma
A carcinoma that originates usually from cells on the surface of the middle and lower third of the ESOPHAGUS. Tumor cells exhibit typical squamous morphology and form large polypoid lesions. Mutations in RNF6, LZTS1, TGFBR2, DEC1, and WWOX1 genes are associated with this cancer.		04.6211
Ancylostomiasis
Infection of humans or animals with hookworms of the genus ANCYLOSTOMA. Characteristics include anemia, dyspepsia, eosinophilia, and abdominal swelling.		04.6211
Auricular Fibrillation
[description not available]		04.6211
Bladder Disorder, Neurogenic
[description not available]		04.6211
Acute Brain Injuries
[description not available]		04.6211
Benign Neoplasms, Brain
[description not available]		08.2884
Carcinoma, Epidermoid
[description not available]		06.44101
Cerebral Ischemia
[description not available]		04.6211
Caries, Dental
[description not available]		04.6211
Alloxan Diabetes
[description not available]		04.7621
Canine Diseases
[description not available]		05.0131
Cancer of Esophagus
[description not available]		05.8551
Fistula
Abnormal communication most commonly seen between two internal organs, or between an internal organ and the surface of the body.		04.6211
Cancer of Gastrointestinal Tract
[description not available]		04.7321
Astrocytoma, Grade IV
[description not available]		04.7821
Glial Cell Tumors
[description not available]		0531
Focal Segmental Glomerulosclerosis
[description not available]		04.6211
Bleeding
[description not available]		05.3651
Hepatocellular Carcinoma
[description not available]		011.33151
Infections, Klebsiella
[description not available]		04.6211
Cancer of Liver
[description not available]		07.84251
Malignant Melanoma
[description not available]		05.6941
Mitral Incompetence
[description not available]		04.6211
Kahler Disease
[description not available]		010.89402
Cardiomyopathies, Primary
[description not available]		04.8621
Morbid Obesity
[description not available]		04.6211
Arthritis, Degenerative
[description not available]		04.6211
Pocket, Periodontal
[description not available]		04.6211
Pericementitis
[description not available]		04.6211
Complication, Postoperative
[description not available]		04.6211
Condition, Preneoplastic
[description not available]		05.6671
Cancer of Prostate
[description not available]		08.1494
Embolism, Pulmonary
[description not available]		04.6211
Acute Respiratory Distress Syndrome
[description not available]		04.6211
Sarcoma, Epithelioid
[description not available]		05.3651
Linear Skull Fracture
[description not available]		04.6211
Cancer of Stomach
[description not available]		010.23159
Nicotine Addiction
[description not available]		04.8721
Zoonoses
Diseases of non-human animals that may be transmitted to HUMANS or may be transmitted from humans to non-human animals.		04.6211
Coxarthrosis
[description not available]		04.6211
Injury, Ischemia-Reperfusion
[description not available]		07.7444
MPTP Neurotoxicity Syndrome
[description not available]		04.6211
Shoulder Injuries
Injuries involving the SHOULDERS and SHOULDER JOINT.		04.6211
Hemorrhage, Gingival
[description not available]		04.6211
Acute Disease
Disease having a short and relatively severe course.		08.28381
Atrial Fibrillation
Abnormal cardiac rhythm that is characterized by rapid, uncoordinated firing of electrical impulses in the upper chambers of the heart (HEART ATRIA). In such case, blood cannot be effectively pumped into the lower chambers of the heart (HEART VENTRICLES). It is caused by abnormal impulse generation.		04.6211
Biliary Tract Diseases
Diseases in any part of the BILIARY TRACT including the BILE DUCTS and the GALLBLADDER.		05.7821
Urinary Bladder, Neurogenic
Dysfunction of the URINARY BLADDER due to disease of the central or peripheral nervous system pathways involved in the control of URINATION. This is often associated with SPINAL CORD DISEASES, but may also be caused by BRAIN DISEASES or PERIPHERAL NERVE DISEASES.		04.6211
Brain Injuries
Acute and chronic (see also BRAIN INJURIES, CHRONIC) injuries to the brain, including the cerebral hemispheres, CEREBELLUM, and BRAIN STEM. Clinical manifestations depend on the nature of injury. Diffuse trauma to the brain is frequently associated with DIFFUSE AXONAL INJURY or COMA, POST-TRAUMATIC. Localized injuries may be associated with NEUROBEHAVIORAL MANIFESTATIONS; HEMIPARESIS, or other focal neurologic deficits.		04.6211
Brain Neoplasms
Neoplasms of the intracranial components of the central nervous system, including the cerebral hemispheres, basal ganglia, hypothalamus, thalamus, brain stem, and cerebellum. Brain neoplasms are subdivided into primary (originating from brain tissue) and secondary (i.e., metastatic) forms. Primary neoplasms are subdivided into benign and malignant forms. In general, brain tumors may also be classified by age of onset, histologic type, or presenting location in the brain.		08.2884
Carcinoma, Squamous Cell
A carcinoma derived from stratified SQUAMOUS EPITHELIAL CELLS. It may also occur in sites where glandular or columnar epithelium is normally present. (From Stedman, 25th ed)		06.44101
Brain Ischemia
Localized reduction of blood flow to brain tissue due to arterial obstruction or systemic hypoperfusion. This frequently occurs in conjunction with brain hypoxia (HYPOXIA, BRAIN). Prolonged ischemia is associated with BRAIN INFARCTION.		04.6211
Dental Caries
Localized destruction of the tooth surface initiated by decalcification of the enamel followed by enzymatic lysis of organic structures and leading to cavity formation. If left unchecked, the cavity may penetrate the enamel and dentin and reach the pulp.		04.6211
Diabetes Mellitus
A heterogeneous group of disorders characterized by HYPERGLYCEMIA and GLUCOSE INTOLERANCE.		04.9421
Esophageal Neoplasms
Tumors or cancer of the ESOPHAGUS.		05.8551
Gingival Hemorrhage
The flowing of blood from the marginal gingival area, particularly the sulcus, seen in such conditions as GINGIVITIS, marginal PERIODONTITIS, injury, and ASCORBIC ACID DEFICIENCY.		04.6211
Glioblastoma
A malignant form of astrocytoma histologically characterized by pleomorphism of cells, nuclear atypia, microhemorrhage, and necrosis. They may arise in any region of the central nervous system, with a predilection for the cerebral hemispheres, basal ganglia, and commissural pathways. Clinical presentation most frequently occurs in the fifth or sixth decade of life with focal neurologic signs or seizures.		04.7821
Glioma
Benign and malignant central nervous system neoplasms derived from glial cells (i.e., astrocytes, oligodendrocytes, and ependymocytes). Astrocytes may give rise to astrocytomas (ASTROCYTOMA) or glioblastoma multiforme (see GLIOBLASTOMA). Oligodendrocytes give rise to oligodendrogliomas (OLIGODENDROGLIOMA) and ependymocytes may undergo transformation to become EPENDYMOMA; CHOROID PLEXUS NEOPLASMS; or colloid cysts of the third ventricle. (From Escourolle et al., Manual of Basic Neuropathology, 2nd ed, p21)		0531
Glomerulosclerosis, Focal Segmental
A clinicopathological syndrome or diagnostic term for a type of glomerular injury that has multiple causes, primary or secondary. Clinical features include PROTEINURIA, reduced GLOMERULAR FILTRATION RATE, and EDEMA. Kidney biopsy initially indicates focal segmental glomerular consolidation (hyalinosis) or scarring which can progress to globally sclerotic glomeruli leading to eventual KIDNEY FAILURE.		04.6211
Hemorrhage
Bleeding or escape of blood from a vessel.		05.3651
Carcinoma, Hepatocellular
A primary malignant neoplasm of epithelial liver cells. It ranges from a well-differentiated tumor with EPITHELIAL CELLS indistinguishable from normal HEPATOCYTES to a poorly differentiated neoplasm. The cells may be uniform or markedly pleomorphic, or form GIANT CELLS. Several classification schemes have been suggested.		06.33151
Ischemia
A hypoperfusion of the BLOOD through an organ or tissue caused by a PATHOLOGIC CONSTRICTION or obstruction of its BLOOD VESSELS, or an absence of BLOOD CIRCULATION.		04.6211
Kidney Diseases
Pathological processes of the KIDNEY or its component tissues.		06.1671
Klebsiella Infections
Infections with bacteria of the genus KLEBSIELLA.		04.6211
Liver Neoplasms
Tumors or cancer of the LIVER.		07.84251
Melanoma
A malignant neoplasm derived from cells that are capable of forming melanin, which may occur in the skin of any part of the body, in the eye, or, rarely, in the mucous membranes of the genitalia, anus, oral cavity, or other sites. It occurs mostly in adults and may originate de novo or from a pigmented nevus or malignant lentigo. Melanomas frequently metastasize widely, and the regional lymph nodes, liver, lungs, and brain are likely to be involved. The incidence of malignant skin melanomas is rising rapidly in all parts of the world. (Stedman, 25th ed; from Rook et al., Textbook of Dermatology, 4th ed, p2445)		010.6941
Mitral Valve Insufficiency
Backflow of blood from the LEFT VENTRICLE into the LEFT ATRIUM due to imperfect closure of the MITRAL VALVE. This can lead to mitral valve regurgitation.		04.6211
Multiple Myeloma
A malignancy of mature PLASMA CELLS engaging in monoclonal immunoglobulin production. It is characterized by hyperglobulinemia, excess Bence-Jones proteins (free monoclonal IMMUNOGLOBULIN LIGHT CHAINS) in the urine, skeletal destruction, bone pain, and fractures. Other features include ANEMIA; HYPERCALCEMIA; and RENAL INSUFFICIENCY.		010.89402
Cardiomyopathies
A group of diseases in which the dominant feature is the involvement of the CARDIAC MUSCLE itself. Cardiomyopathies are classified according to their predominant pathophysiological features (DILATED CARDIOMYOPATHY; HYPERTROPHIC CARDIOMYOPATHY; RESTRICTIVE CARDIOMYOPATHY) or their etiological/pathological factors (CARDIOMYOPATHY, ALCOHOLIC; ENDOCARDIAL FIBROELASTOSIS).		04.8621
Obesity, Morbid
The condition of weighing two, three, or more times the ideal weight, so called because it is associated with many serious and life-threatening disorders. In the BODY MASS INDEX, morbid obesity is defined as having a BMI greater than 40.0 kg/m2.		04.6211
Osteoarthritis
A progressive, degenerative joint disease, the most common form of arthritis, especially in older persons. The disease is thought to result not from the aging process but from biochemical changes and biomechanical stresses affecting articular cartilage. In the foreign literature it is often called osteoarthrosis deformans.		04.6211
Periodontal Pocket
An abnormal extension of a gingival sulcus accompanied by the apical migration of the epithelial attachment and bone resorption.		04.6211
Periodontitis
Inflammation and loss of connective tissues supporting or surrounding the teeth. This may involve any part of the PERIODONTIUM. Periodontitis is currently classified by disease progression (CHRONIC PERIODONTITIS; AGGRESSIVE PERIODONTITIS) instead of age of onset. (From 1999 International Workshop for a Classification of Periodontal Diseases and Conditions, American Academy of Periodontology)		04.6211
Pneumonia, Viral
Inflammation of the lung parenchyma that is caused by a viral infection.		04.6211
Postoperative Complications
Pathologic processes that affect patients after a surgical procedure. They may or may not be related to the disease for which the surgery was done, and they may or may not be direct results of the surgery.		04.6211
Precancerous Conditions
Pathological conditions that tend eventually to become malignant.		05.6671
Prostatic Neoplasms
Tumors or cancer of the PROSTATE.		08.1494
Pulmonary Embolism
Blocking of the PULMONARY ARTERY or one of its branches by an EMBOLUS.		04.6211
Respiratory Distress Syndrome
A syndrome characterized by progressive life-threatening RESPIRATORY INSUFFICIENCY in the absence of known LUNG DISEASES, usually following a systemic insult such as surgery or major TRAUMA.		04.6211
Sarcoma
A connective tissue neoplasm formed by proliferation of mesodermal cells; it is usually highly malignant.		010.3651
Stomach Neoplasms
Tumors or cancer of the STOMACH.		010.23159
Tobacco Use Disorder
Tobacco used to the detriment of a person's health or social functioning. Tobacco dependence is included.		04.8721
Osteoarthritis, Hip
Noninflammatory degenerative disease of the hip joint which usually appears in late middle or old age. It is characterized by growth or maturational disturbances in the femoral neck and head, as well as acetabular dysplasia. A dominant symptom is pain on weight-bearing or motion.		04.6211
Reperfusion Injury
Adverse functional, metabolic, or structural changes in tissues that result from the restoration of blood flow to the tissue (REPERFUSION) following ISCHEMIA.		07.7444
Coronavirus Infections
Virus diseases caused by the CORONAVIRUS genus. Some specifics include transmissible enteritis of turkeys (ENTERITIS, TRANSMISSIBLE, OF TURKEYS); FELINE INFECTIOUS PERITONITIS; and transmissible gastroenteritis of swine (GASTROENTERITIS, TRANSMISSIBLE, OF SWINE).		04.6211
Substance-Related Disorders
Disorders related to substance use or abuse.		07.03191
Infarction, Middle Cerebral Artery
NECROSIS occurring in the MIDDLE CEREBRAL ARTERY distribution system which brings blood to the entire lateral aspects of each CEREBRAL HEMISPHERE. Clinical signs include impaired cognition; APHASIA; AGRAPHIA; weak and numbness in the face and arms, contralaterally or bilaterally depending on the infarction.		04.6211
Osteoarthritis, Knee
Noninflammatory degenerative disease of the knee joint consisting of three large categories: conditions that block normal synchronous movement, conditions that produce abnormal pathways of motion, and conditions that cause stress concentration resulting in changes to articular cartilage. (Crenshaw, Campbell's Operative Orthopaedics, 8th ed, p2019)		04.6211
Hearing Loss
A general term for the complete or partial loss of the ability to hear from one or both ears.		04.9621
Lipid Metabolism Disorders
Pathological conditions resulting from abnormal anabolism or catabolism of lipids in the body.		04.6211
Acute Kidney Injury
Abrupt reduction in kidney function. Acute kidney injury encompasses the entire spectrum of the syndrome including acute kidney failure; ACUTE KIDNEY TUBULAR NECROSIS; and other less severe conditions.		0884
Drug-Related Side Effects and Adverse Reactions
Disorders that result from the intended use of PHARMACEUTICAL PREPARATIONS. Included in this heading are a broad variety of chemically-induced adverse conditions due to toxicity, DRUG INTERACTIONS, and metabolic effects of pharmaceuticals.		06.76101
Non-alcoholic Fatty Liver Disease
Fatty liver finding without excessive ALCOHOL CONSUMPTION.		04.6211
Job Stress
[description not available]		02.2510
Bronze Diabetes
[description not available]		02.3720
Hemochromatosis
A disorder of iron metabolism characterized by a triad of HEMOSIDEROSIS; LIVER CIRRHOSIS; and DIABETES MELLITUS. It is caused by massive iron deposits in parenchymal cells that may develop after a prolonged increase of iron absorption. (Jablonski's Dictionary of Syndromes & Eponymic Diseases, 2d ed)		02.3720
Sensitivity and Specificity
Binary classification measures to assess test results. Sensitivity or recall rate is the proportion of true positives. Specificity is the probability of correctly determining the absence of a condition. (From Last, Dictionary of Epidemiology, 2d ed)		09.21190
Autoimmune Disease
[description not available]		06.4690
Autoimmune Diseases
Disorders that are characterized by the production of antibodies that react with host tissues or immune effector cells that are autoreactive to endogenous peptides.		06.4690
Insulin Sensitivity
[description not available]		03.2650
Insulin Resistance
Diminished effectiveness of INSULIN in lowering blood sugar levels: requiring the use of 200 units or more of insulin per day to prevent HYPERGLYCEMIA or KETOSIS.		03.2650
ANS (Autonomic Nervous System) Diseases
[description not available]		02.3110
Leishmania Infection
[description not available]		03.2310
American Trypanosomiasis
[description not available]		03.6230
Leishmaniasis
A disease caused by any of a number of species of protozoa in the genus LEISHMANIA. There are four major clinical types of this infection: cutaneous (Old and New World) (LEISHMANIASIS, CUTANEOUS), diffuse cutaneous (LEISHMANIASIS, DIFFUSE CUTANEOUS), mucocutaneous (LEISHMANIASIS, MUCOCUTANEOUS), and visceral (LEISHMANIASIS, VISCERAL).		03.2310
Chagas Disease
Infection with the protozoan parasite TRYPANOSOMA CRUZI, a form of TRYPANOSOMIASIS endemic in Central and South America. It is named after the Brazilian physician Carlos Chagas, who discovered the parasite. Infection by the parasite (positive serologic result only) is distinguished from the clinical manifestations that develop years later, such as destruction of PARASYMPATHETIC GANGLIA; CHAGAS CARDIOMYOPATHY; and dysfunction of the ESOPHAGUS or COLON.		03.6230
Idiopathic Parkinson Disease
[description not available]		03.0610
Parkinson Disease
A progressive, degenerative neurologic disease characterized by a TREMOR that is maximal at rest, retropulsion (i.e. a tendency to fall backwards), rigidity, stooped posture, slowness of voluntary movements, and a masklike facial expression. Pathologic features include loss of melanin containing neurons in the substantia nigra and other pigmented nuclei of the brainstem. LEWY BODIES are present in the substantia nigra and locus coeruleus but may also be found in a related condition (LEWY BODY DISEASE, DIFFUSE) characterized by dementia in combination with varying degrees of parkinsonism. (Adams et al., Principles of Neurology, 6th ed, p1059, pp1067-75)		03.0610
Myeloproliferative Disorders
Conditions which cause proliferation of hemopoietically active tissue or of tissue which has embryonic hemopoietic potential. They all involve dysregulation of multipotent MYELOID PROGENITOR CELLS, most often caused by a mutation in the JAK2 PROTEIN TYROSINE KINASE.		06.22110
Acromegaly Due To Pituitary Adenoma
[description not available]		02.5820
Choriocarcinoma
A malignant metastatic form of trophoblastic tumors. Unlike the HYDATIDIFORM MOLE, choriocarcinoma contains no CHORIONIC VILLI but rather sheets of undifferentiated cytotrophoblasts and syncytiotrophoblasts (TROPHOBLASTS). It is characterized by the large amounts of CHORIONIC GONADOTROPIN produced. Tissue origins can be determined by DNA analyses: placental (fetal) origin or non-placental origin (CHORIOCARCINOMA, NON-GESTATIONAL).		07.1510
Infection, Wound
[description not available]		02.1510
Body Weight
The mass or quantity of heaviness of an individual. It is expressed by units of pounds or kilograms.		07.61551
Respiratory Tract Diseases
Diseases involving the RESPIRATORY SYSTEM.		04.66100
Breast Cancer, Male
[description not available]		02.4520
Breast Neoplasms, Male
Any neoplasms of the male breast. These occur infrequently in males in developed countries, the incidence being about 1% of that in females.		02.4520
Central Nervous System Neoplasm
[description not available]		04.3941
Central Nervous System Neoplasms
Benign and malignant neoplastic processes that arise from or secondarily involve the brain, spinal cord, or meninges.		04.3941
Colorectal Cancer
[description not available]		07.5320
Colorectal Neoplasms
Tumors or cancer of the COLON or the RECTUM or both. Risk factors for colorectal cancer include chronic ULCERATIVE COLITIS; FAMILIAL POLYPOSIS COLI; exposure to ASBESTOS; and irradiation of the CERVIX UTERI.		02.5320
Silicosis
A form of pneumoconiosis resulting from inhalation of dust containing crystalline form of SILICON DIOXIDE, usually in the form of quartz. Amorphous silica is relatively nontoxic.		02.8840
Cleft Palate, Isolated
[description not available]		02.9240
Acrania
[description not available]		02.9840
Cleft Palate
Congenital fissure of the soft and/or hard palate, due to faulty fusion.		02.9240
Neural Tube Defects
Congenital malformations of the central nervous system and adjacent structures related to defective neural tube closure during the first trimester of pregnancy generally occurring between days 18-29 of gestation. Ectodermal and mesodermal malformations (mainly involving the skull and vertebrae) may occur as a result of defects of neural tube closure. (From Joynt, Clinical Neurology, 1992, Ch55, pp31-41)		07.9840
Emergencies
Situations or conditions requiring immediate intervention to avoid serious adverse results.		02.1710
Electron Transport Chain Deficiencies, Mitochondrial
[description not available]		02.1710
Lipid Metabolism, Inborn Error
[description not available]		02.1710
Muscle Disorders
[description not available]		02.1710
Bone Marrow Failure Syndromes, Congenital
[description not available]		02.1710
Muscular Diseases
Acquired, familial, and congenital disorders of SKELETAL MUSCLE and SMOOTH MUSCLE.		02.1710
Mitochondrial Diseases
Diseases caused by abnormal function of the MITOCHONDRIA. They may be caused by mutations, acquired or inherited, in mitochondrial DNA or in nuclear genes that code for mitochondrial components. They may also be the result of acquired mitochondria dysfunction due to adverse effects of drugs, infections, or other environmental causes.		02.1710
Neovascularization, Optic Disc
[description not available]		02.1710
Retinal Neovascularization
Formation of new blood vessels originating from the retinal veins and extending along the inner (vitreal) surface of the retina.		02.1710
Cancer of Mouth
[description not available]		02.2110
Cancer of Oropharnyx
[description not available]		02.2110
Mouth Neoplasms
Tumors or cancer of the MOUTH.		02.2110
Oropharyngeal Neoplasms
Tumors or cancer of the OROPHARYNX.		02.2110
Pulsatile Tinnitus
[description not available]		02.2110
Tinnitus
A nonspecific symptom of hearing disorder characterized by the sensation of buzzing, ringing, clicking, pulsations, and other noises in the ear. Objective tinnitus refers to noises generated from within the ear or adjacent structures that can be heard by other individuals. The term subjective tinnitus is used when the sound is audible only to the affected individual. Tinnitus may occur as a manifestation of COCHLEAR DISEASES; VESTIBULOCOCHLEAR NERVE DISEASES; INTRACRANIAL HYPERTENSION; CRANIOCEREBRAL TRAUMA; and other conditions.		02.2110
Cancer of Nasopharynx
[description not available]		02.4620
Airway Hyper-Responsiveness
[description not available]		02.940
Nasopharyngeal Neoplasms
Tumors or cancer of the NASOPHARYNX.		02.4620
Cancer of Pituitary
[description not available]		02.420
Pituitary Neoplasms
Neoplasms which arise from or metastasize to the PITUITARY GLAND. The majority of pituitary neoplasms are adenomas, which are divided into non-secreting and secreting forms. Hormone producing forms are further classified by the type of hormone they secrete. Pituitary adenomas may also be characterized by their staining properties (see ADENOMA, BASOPHIL; ADENOMA, ACIDOPHIL; and ADENOMA, CHROMOPHOBE). Pituitary tumors may compress adjacent structures, including the HYPOTHALAMUS, several CRANIAL NERVES, and the OPTIC CHIASM. Chiasmal compression may result in bitemporal HEMIANOPSIA.		02.420
Anxiety
Feelings or emotions of dread, apprehension, and impending disaster but not disabling as with ANXIETY DISORDERS.		07.4720
Albuminuria
The presence of albumin in the urine, an indicator of KIDNEY DISEASES.		02.2110
Leukocytopenia
[description not available]		06.6370
Leukopenia
A decrease in the number of LEUKOCYTES in a blood sample below the normal range (LEUKOCYTE COUNT less than 4000).		06.6370
Adenocarcinoma, Basal Cell
[description not available]		03.0550
Cancer of Gallbladder
[description not available]		02.0810
Adenocarcinoma
A malignant epithelial tumor with a glandular organization.		03.0550
Gallbladder Neoplasms
Tumors or cancer of the gallbladder.		02.0810
Balkan Endemic Nephropathy
[description not available]		02.110
Kidney Failure
A severe irreversible decline in the ability of kidneys to remove wastes, concentrate URINE, and maintain ELECTROLYTE BALANCE; BLOOD PRESSURE; and CALCIUM metabolism.		02.1110
Renal Insufficiency
Conditions in which the KIDNEYS perform below the normal level in the ability to remove wastes, concentrate URINE, and maintain ELECTROLYTE BALANCE; BLOOD PRESSURE; and CALCIUM metabolism. Renal insufficiency can be classified by the degree of kidney damage (as measured by the level of PROTEINURIA) and reduction in GLOMERULAR FILTRATION RATE.		02.1110
Harelip
[description not available]		02.4520
Cleft Lip
Congenital defect in the upper lip where the maxillary prominence fails to merge with the merged medial nasal prominences. It is thought to be caused by faulty migration of the mesoderm in the head region.		02.4520
Lymphatic Diseases
Diseases of LYMPH; LYMPH NODES; or LYMPHATIC VESSELS.		02.6530
Digestive System Disorders
[description not available]		02.3720
Exanthem
[description not available]		02.3620
Digestive System Diseases
Diseases in any part of the GASTROINTESTINAL TRACT or the accessory organs (LIVER; BILIARY TRACT; PANCREAS).		02.3720
Exanthema
Diseases in which skin eruptions or rashes are a prominent manifestation. Classically, six such diseases were described with similar rashes; they were numbered in the order in which they were reported. Only the fourth (Duke's disease), fifth (ERYTHEMA INFECTIOSUM), and sixth (EXANTHEMA SUBITUM) numeric designations survive as occasional synonyms in current terminology.		02.3620
B-Cell Chronic Lymphocytic Leukemia
[description not available]		06.03100
Leukemia, Lymphocytic, Chronic, B-Cell
A chronic leukemia characterized by abnormal B-lymphocytes and often generalized lymphadenopathy. In patients presenting predominately with blood and bone marrow involvement it is called chronic lymphocytic leukemia (CLL); in those predominately with enlarged lymph nodes it is called small lymphocytic lymphoma. These terms represent spectrums of the same disease.		06.03100
Child Behavior Disorders
Disturbances considered to be pathological based on age and stage appropriateness, e.g., conduct disturbances and anaclitic depression. This concept does not include psychoneuroses, psychoses, or personality disorders with fixed patterns.		04.821
Dermatitis, Eczematous
[description not available]		02.0810
Eczema
A pruritic papulovesicular dermatitis occurring as a reaction to many endogenous and exogenous agents (Dorland, 27th ed).		02.0810
Chromosome Deletion
Actual loss of portion of a chromosome.		05.26120
Granulocytic Leukemia
[description not available]		07.51510
Myeloproliferative-Myelodisplastic Diseases
[description not available]		02.110
Leukemia, Myeloid
Form of leukemia characterized by an uncontrolled proliferation of the myeloid lineage and their precursors (MYELOID PROGENITOR CELLS) in the bone marrow and other sites.		07.51510
Myelodysplastic-Myeloproliferative Diseases
Clonal myeloid disorders that possess both dysplastic and proliferative features but are not properly classified as either MYELODYSPLASTIC SYNDROMES or MYELOPROLIFERATIVE DISORDERS.		02.110
Blood Pressure, Low
[description not available]		01.9310
Hypotension
Abnormally low BLOOD PRESSURE that can result in inadequate blood flow to the brain and other vital organs. Common symptom is DIZZINESS but greater negative impacts on the body occur when there is prolonged depravation of oxygen and nutrients.		01.9310
Ear Diseases
Pathological processes of the ear, the hearing, and the equilibrium system of the body.		02.110
Amyloidosis
A group of sporadic, familial and/or inherited, degenerative, and infectious disease processes, linked by the common theme of abnormal protein folding and deposition of AMYLOID. As the amyloid deposits enlarge they displace normal tissue structures, causing disruption of function. Various signs and symptoms depend on the location and size of the deposits.		02.3920
Cervix Dysplasia
[description not available]		02.110
Uterine Cervical Dysplasia
Abnormal development of immature squamous EPITHELIAL CELLS of the UTERINE CERVIX, a term used to describe premalignant cytological changes in the cervical EPITHELIUM. These atypical cells do not penetrate the epithelial BASEMENT MEMBRANE.		02.110
Choledocholithiasis
Presence or formation of GALLSTONES in the COMMON BILE DUCT.		03.0110
Sphincter of Oddi Dysfunction
Organic or functional motility disorder involving the SPHINCTER OF ODDI and associated with biliary COLIC. Pathological changes are most often seen in the COMMON BILE DUCT sphincter, and less commonly the PANCREATIC DUCT sphincter.		03.0110
Chronic Pancreatitis
[description not available]		03.0110
Constriction, Pathological
[description not available]		03.420
Constriction, Pathologic
The condition of an anatomical structure's being constricted beyond normal dimensions.		03.420
Pancreatitis, Chronic
INFLAMMATION of the PANCREAS that is characterized by recurring or persistent ABDOMINAL PAIN with or without STEATORRHEA or DIABETES MELLITUS. It is characterized by the irregular destruction of the pancreatic parenchyma which may be focal, segmental, or diffuse.		03.0110
Infectious Diseases
[description not available]		02.4620
Communicable Diseases
An illness caused by an infectious agent or its toxins that occurs through the direct or indirect transmission of the infectious agent or its products from an infected individual or via an animal, vector or the inanimate environment to a susceptible animal or human host.		02.4620
HIV Coinfection
[description not available]		02.110
HIV Infections
Includes the spectrum of human immunodeficiency virus infections that range from asymptomatic seropositivity, thru AIDS-related complex (ARC), to acquired immunodeficiency syndrome (AIDS).		02.110
Atopic Hypersensitivity
[description not available]		03.5830
Chromosome-Defective Micronuclei
[description not available]		05.7310
Hemorrhage, Retinal
[description not available]		02.110
Thrombopenia
[description not available]		012.25220
Thrombocytopenia
A subnormal level of BLOOD PLATELETS.		07.25220
Infant, Small for Gestational Age
An infant having a birth weight lower than expected for its gestational age.		02.4820
Cholangiocellular Carcinoma
[description not available]		04.4111
Bile Duct Cancer
[description not available]		04.9531
Cholangiitis, Sclerosing
[description not available]		04.4111
Bile Duct Neoplasms
Tumors or cancer of the BILE DUCTS.		04.9531
Cholangitis, Sclerosing
Chronic inflammatory disease of the BILIARY TRACT. It is characterized by fibrosis and hardening of the intrahepatic and extrahepatic biliary ductal systems leading to bile duct strictures, CHOLESTASIS, and eventual BILIARY CIRRHOSIS.		04.4111
Cholangiocarcinoma
A malignant tumor arising from the epithelium of the BILE DUCTS.		04.4111
Experimental Neoplasms
[description not available]		08.03660
Carcinoma, Anaplastic
[description not available]		04.1460
Animal Mammary Carcinoma
[description not available]		02.4720
Carcinoma
A malignant neoplasm made up of epithelial cells tending to infiltrate the surrounding tissues and give rise to metastases. It is a histological type of neoplasm and not a synonym for cancer.		04.1460
Autism
[description not available]		04.4111
Pervasive Child Development Disorders
[description not available]		04.4111
Autistic Disorder
A disorder beginning in childhood. It is marked by the presence of markedly abnormal or impaired development in social interaction and communication and a markedly restricted repertoire of activity and interest. Manifestations of the disorder vary greatly depending on the developmental level and chronological age of the individual. (DSM-V)		04.4111
Child Development Disorders, Pervasive
Severe distortions in the development of many basic psychological functions that are not normal for any stage in development. These distortions are manifested in sustained social impairment, speech abnormalities, and peculiar motor movements.		04.4111
Cough
A sudden, audible expulsion of air from the lungs through a partially closed glottis, preceded by inhalation. It is a protective response that serves to clear the trachea, bronchi, and/or lungs of irritants and secretions, or to prevent aspiration of foreign materials into the lungs.		02.4520
Cerebral Primitive Neuroectodermal Tumor
[description not available]		02.1110
Anaplastic Astrocytoma
[description not available]		02.1110
Arachnoidal Cerebellar Sarcoma, Circumscribed
[description not available]		02.1110
Anaplastic Ependymoma
[description not available]		02.1110
Astrocytoma
Neoplasms of the brain and spinal cord derived from glial cells which vary from histologically benign forms to highly anaplastic and malignant tumors. Fibrillary astrocytomas are the most common type and may be classified in order of increasing malignancy (grades I through IV). In the first two decades of life, astrocytomas tend to originate in the cerebellar hemispheres; in adults, they most frequently arise in the cerebrum and frequently undergo malignant transformation. (From Devita et al., Cancer: Principles and Practice of Oncology, 5th ed, pp2013-7; Holland et al., Cancer Medicine, 3d ed, p1082)		02.1110
Ependymoma
Glioma derived from EPENDYMOGLIAL CELLS that tend to present as malignant intracranial tumors in children and as benign intraspinal neoplasms in adults. It may arise from any level of the ventricular system or central canal of the spinal cord. Intracranial ependymomas most frequently originate in the FOURTH VENTRICLE and histologically are densely cellular tumors which may contain ependymal tubules and perivascular pseudorosettes. Spinal ependymomas are usually benign papillary or myxopapillary tumors. (From DeVita et al., Principles and Practice of Oncology, 5th ed, p2018; Escourolle et al., Manual of Basic Neuropathology, 2nd ed, pp28-9)		02.1110
Medulloblastoma
A malignant neoplasm that may be classified either as a glioma or as a primitive neuroectodermal tumor of childhood (see NEUROECTODERMAL TUMOR, PRIMITIVE). The tumor occurs most frequently in the first decade of life with the most typical location being the cerebellar vermis. Histologic features include a high degree of cellularity, frequent mitotic figures, and a tendency for the cells to organize into sheets or form rosettes. Medulloblastoma have a high propensity to spread throughout the craniospinal intradural axis. (From DeVita et al., Cancer: Principles and Practice of Oncology, 5th ed, pp2060-1)		02.1110
Neuroectodermal Tumors, Primitive
A group of malignant tumors of the nervous system that feature primitive cells with elements of neuronal and/or glial differentiation. Use of this term is limited by some authors to central nervous system tumors and others include neoplasms of similar origin which arise extracranially (i.e., NEUROECTODERMAL TUMORS, PRIMITIVE, PERIPHERAL). This term is also occasionally used as a synonym for MEDULLOBLASTOMA. In general, these tumors arise in the first decade of life and tend to be highly malignant. (From DeVita et al., Cancer: Principles and Practice of Oncology, 5th ed, p2059)		02.1110
Inhalation Injury, Smoke
[description not available]		02.4220
Cancer, Radiation-Induced
[description not available]		05.3750
Chromosomal Breakage
[description not available]		03.1250
Abnormalities, Congenital
[description not available]		03.6130
Absence Seizure
[description not available]		03.2260
Seizures
Clinical or subclinical disturbances of cortical function due to a sudden, abnormal, excessive, and disorganized discharge of brain cells. Clinical manifestations include abnormal motor, sensory and psychic phenomena. Recurrent seizures are usually referred to as EPILEPSY or seizure disorder.		08.2260
Extravascular Hemolysis
[description not available]		04.74120
Hemolysis
The destruction of ERYTHROCYTES by many different causal agents such as antibodies, bacteria, chemicals, temperature, and changes in tonicity.		09.74120
Anoxemia
[description not available]		02.4620
Hypoxia
Sub-optimal OXYGEN levels in the ambient air of living organisms.		02.4620
Death, Sudden
The abrupt cessation of all vital bodily functions, manifested by the permanent loss of total cerebral, respiratory, and cardiovascular functions.		02.8740
Diarrhea
An increased liquidity or decreased consistency of FECES, such as running stool. Fecal consistency is related to the ratio of water-holding capacity of insoluble solids to total water, rather than the amount of water present. Diarrhea is not hyperdefecation or increased fecal weight.		02.1310
Hand-Arm Vibration Syndrome
An occupational disorder resulting from prolonged exposure to vibration, affecting the fingers, hands, and forearms. It occurs in workers who regularly use vibrating tools such as jackhammers, power chain saws, riveters, etc. Symptoms include episodic finger blanching, NUMBNESS, tingling, and loss of nerve sensitivity.		02.1310
Bagassosis
A diffuse parenchymal lung disease caused by inhaled dust from processing SUGARCANE (bagasse), usually in the manufacturing of wallboard.		03.630
Pneumoconiosis
A diffuse parenchymal lung disease caused by inhalation of dust and by tissue reaction to their presence. These inorganic, organic, particulate, or vaporized matters usually are inhaled by workers in their occupational environment, leading to the various forms (ASBESTOSIS; BYSSINOSIS; and others). Similar air pollution can also have deleterious effects on the general population.		03.630
Hypermelanosis
[description not available]		02.1310
Lentigines
[description not available]		02.1310
Lentigo
Small circumscribed melanoses resembling, but differing histologically from, freckles. The concept includes senile lentigo ('liver spots') and nevoid lentigo (nevus spilus, lentigo simplex) and may also occur in association with multiple congenital defects or congenital syndromes (e.g., Peutz-Jeghers syndrome).		02.1310
Skin Aging
The process of aging due to changes in the structure and elasticity of the skin over time. It may be a part of physiological aging or it may be due to the effects of ultraviolet radiation, usually through exposure to sunlight.		02.1310
Hyperpigmentation
Excessive pigmentation of the skin, usually as a result of increased epidermal or dermal melanin pigmentation, hypermelanosis. Hyperpigmentation can be localized or generalized. The condition may arise from exposure to light, chemicals or other substances, or from a primary metabolic imbalance.		02.1310
Alcohol Drinking
Behaviors associated with the ingesting of ALCOHOLIC BEVERAGES, including social drinking.		05.26120
Carcinoma, Ehrlich Tumor
A transplantable, poorly differentiated malignant tumor which appeared originally as a spontaneous breast carcinoma in a mouse. It grows in both solid and ascitic forms.		02.3920
Familial Nonmedullary Thyroid Cancer
[description not available]		02.1510
Carcinoma, Papillary
A malignant neoplasm characterized by the formation of numerous, irregular, finger-like projections of fibrous stroma that is covered with a surface layer of neoplastic epithelial cells. (Stedman, 25th ed)		02.1510
Cancer of the Thyroid
[description not available]		02.1510
Thyroid Neoplasms
Tumors or cancer of the THYROID GLAND.		02.1510
Abortion, Tubal
[description not available]		03.3670
Abortion, Spontaneous
Expulsion of the product of FERTILIZATION before completing the term of GESTATION and without deliberate interference.		03.3670
Dehydration
The condition that results from excessive loss of water from a living organism.		02.3920
Electrolytes
Substances that dissociate into two or more ions, to some extent, in water. Solutions of electrolytes thus conduct an electric current and can be decomposed by it (ELECTROLYSIS). (Grant & Hackh's Chemical Dictionary, 5th ed)		07.6730
Delayed Hypersensitivity
[description not available]		08.74110
Elevated Cholesterol
[description not available]		02.3720
Hypercholesterolemia
A condition with abnormally high levels of CHOLESTEROL in the blood. It is defined as a cholesterol value exceeding the 95th percentile for the population.		02.3720
Chromosomal Translocation
[description not available]		05.65100
Atrophy
Decrease in the size of a cell, tissue, organ, or multiple organs, associated with a variety of pathological conditions such as abnormal cellular changes, ischemia, malnutrition, or hormonal changes.		02.0310
Chronic Kidney Failure
[description not available]		02.0410
Kidney Failure, Chronic
The end-stage of CHRONIC RENAL INSUFFICIENCY. It is characterized by the severe irreversible kidney damage (as measured by the level of PROTEINURIA) and the reduction in GLOMERULAR FILTRATION RATE to less than 15 ml per min (Kidney Foundation: Kidney Disease Outcome Quality Initiative, 2002). These patients generally require HEMODIALYSIS or KIDNEY TRANSPLANTATION.		02.0410
Polyarthritis
[description not available]		02.3820
Arthritis
Acute or chronic inflammation of JOINTS.		02.3820
Acute Promyelocytic Leukemia
[description not available]		0450
Leukemia, Promyelocytic, Acute
An acute myeloid leukemia in which abnormal PROMYELOCYTES predominate. It is frequently associated with DISSEMINATED INTRAVASCULAR COAGULATION.		0450
Mucositis, Oral
[description not available]		01.9210
Stomatitis
INFLAMMATION of the soft tissues of the MOUTH, such as MUCOSA; PALATE; GINGIVA; and LIP.		01.9210
Intestinal Diseases, Parasitic
Infections of the INTESTINES with PARASITES, commonly involving PARASITIC WORMS. Infections with roundworms (NEMATODE INFECTIONS) and tapeworms (CESTODE INFECTIONS) are also known as HELMINTHIASIS.		01.9210
Experimental Leukemia
[description not available]		06.89230
Deficiency, Ascorbic Acid
[description not available]		03.9550
Ascorbic Acid Deficiency
A condition due to a dietary deficiency of ascorbic acid (vitamin C), characterized by malaise, lethargy, and weakness. As the disease progresses, joints, muscles, and subcutaneous tissues may become the sites of hemorrhage. Ascorbic acid deficiency frequently develops into SCURVY in young children fed unsupplemented cow's milk exclusively during their first year. It develops also commonly in chronic alcoholism. (Cecil Textbook of Medicine, 19th ed, p1177)		03.9550
Disease
A definite pathologic process with a characteristic set of signs and symptoms. It may affect the whole body or any of its parts, and its etiology, pathology, and prognosis may be known or unknown.		03.72110
Brain Inflammation
[description not available]		01.9210
Arboviral Encephalitis
[description not available]		01.9210
Encephalitis
Inflammation of the BRAIN due to infection, autoimmune processes, toxins, and other conditions. Viral infections (see ENCEPHALITIS, VIRAL) are a relatively frequent cause of this condition.		01.9210
Pleurisy
INFLAMMATION of PLEURA, the lining of the LUNG. When PARIETAL PLEURA is involved, there is pleuritic CHEST PAIN.		01.9210
Empyema, Thoracic
[description not available]		01.9210
Empyema, Pleural
Suppurative inflammation of the pleural space.		01.9210
Adult Premature Aging Syndrome
[description not available]		02.0510
Disease, Pulmonary
[description not available]		03.5690
Lung Diseases
Pathological processes involving any part of the LUNG.		03.5690
Thyroid Diseases
Pathological processes involving the THYROID GLAND.		02.3720
Granuloma, Hodgkin
[description not available]		05.69140
Hodgkin Disease
A malignant disease characterized by progressive enlargement of the lymph nodes, spleen, and general lymphoid tissue. In the classical variant, giant usually multinucleate Hodgkin's and REED-STERNBERG CELLS are present; in the nodular lymphocyte predominant variant, lymphocytic and histiocytic cells are seen.		05.69140
Leukemia, Smoldering
[description not available]		02.0510
Anemia, Refractory, with Excess of Blasts
Chronic refractory anemia with granulocytopenia, and/or thrombocytopenia. Myeloblasts and progranulocytes constitute 5 to 40 percent of the nucleated marrow cells.		02.0510
Leukemia, Radiation-Induced
Leukemia produced by exposure to IONIZING RADIATION or NON-IONIZING RADIATION.		06.78180
Eye Disorders
[description not available]		02.3820
Dermatoses
[description not available]		03.4680
Eye Diseases
Diseases affecting the eye.		02.3820
Skin Diseases
Diseases involving the DERMIS or EPIDERMIS.		03.4680
African Sleeping Sickness
[description not available]		02.0510
Trypanosomiasis, African
A disease endemic among people and animals in Central Africa. It is caused by various species of trypanosomes, particularly T. gambiense and T. rhodesiense. Its second host is the TSETSE FLY. Involvement of the central nervous system produces African sleeping sickness. Nagana is a rapidly fatal trypanosomiasis of horses and other animals.		02.0510
Entamoeba histolytica Infection
[description not available]		02.0510
Granulocytic Leukemia, Chronic
[description not available]		06.41160
Leukemia, Myelogenous, Chronic, BCR-ABL Positive
Clonal hematopoetic disorder caused by an acquired genetic defect in PLURIPOTENT STEM CELLS. It starts in MYELOID CELLS of the bone marrow, invades the blood and then other organs. The condition progresses from a stable, more indolent, chronic phase (LEUKEMIA, MYELOID, CHRONIC PHASE) lasting up to 7 years, to an advanced phase composed of an accelerated phase (LEUKEMIA, MYELOID, ACCELERATED PHASE) and BLAST CRISIS.		06.41160
Weight Gain
Increase in BODY WEIGHT over existing weight.		02.9440
P carinii Pneumonia
[description not available]		02.0510
Pneumonia, Pneumocystis
A pulmonary disease in humans occurring in immunodeficient or malnourished patients or infants, characterized by DYSPNEA, tachypnea, and HYPOXEMIA. Pneumocystis pneumonia is a frequently seen opportunistic infection in AIDS. It is caused by the fungus PNEUMOCYSTIS JIROVECII. The disease is also found in other MAMMALS where it is caused by related species of Pneumocystis.		02.0510
Genome Instability
[description not available]		03.3820
Cancer, Second Primary
[description not available]		02.4520
Duncan Disease
[description not available]		04.550
Lymphoproliferative Disorders
Disorders characterized by proliferation of lymphoid tissue, general or unspecified.		04.550
T-Cell Lymphoma
[description not available]		02.4620
Lymphoma, T-Cell
A group of heterogeneous lymphoid tumors representing malignant transformations of T-lymphocytes.		02.4620
Cognition Disorders
Disorders characterized by disturbances in mental processes related to learning, thinking, reasoning, and judgment.		02.0510
Hay Fever
[description not available]		02.0510
Allergic Reaction
[description not available]		04.65110
Rhinitis, Allergic, Seasonal
Allergic rhinitis that occurs at the same time every year. It is characterized by acute CONJUNCTIVITIS with lacrimation and ITCHING, and regarded as an allergic condition triggered by specific ALLERGENS.		02.0510
Hypersensitivity
Altered reactivity to an antigen, which can result in pathologic reactions upon subsequent exposure to that particular antigen.		04.65110
Aneuploid
[description not available]		05.82220
Autoimmune Thrombocytopenia
[description not available]		01.9210
Purpura, Thrombopenic
[description not available]		04.7170
Purpura, Thrombocytopenic
Any form of purpura in which the PLATELET COUNT is decreased. Many forms are thought to be caused by immunological mechanisms.		04.7170
Purpura, Thrombocytopenic, Idiopathic
Thrombocytopenia occurring in the absence of toxic exposure or a disease associated with decreased platelets. It is mediated by immune mechanisms, in most cases IMMUNOGLOBULIN G autoantibodies which attach to platelets and subsequently undergo destruction by macrophages. The disease is seen in acute (affecting children) and chronic (adult) forms.		01.9210
Deficiency, Protein
[description not available]		02.8540
Experimental Lung Inflammation
Inflammation of any part, segment or lobe, of the lung parenchyma.		02.8740
Pneumonia
Infection of the lung often accompanied by inflammation.		02.8740
Bone Marrow Diseases
Diseases involving the BONE MARROW.		07.58420
Coin Lesion, Pulmonary
[description not available]		02.0510
Acoustic Neuroma
[description not available]		02.0510
Anemia, Macrocytic
Anemia characterized by larger than normal erythrocytes, increased mean corpuscular volume (MCV) and increased mean corpuscular hemoglobin (MCH).		03.0550
Cleft Spine
[description not available]		02.4720
Chloroma
[description not available]		01.9210
Sarcoma, Myeloid
An extramedullary tumor of immature MYELOID CELLS or MYELOBLASTS. Granulocytic sarcoma usually occurs with or follows the onset of ACUTE MYELOID LEUKEMIA.		01.9210
Psychoses, Drug
[description not available]		03.0350
Burns, Chemical
Burns caused by contact with or exposure to CAUSTICS or strong ACIDS.		02.8940
Acute Hypercapnic Respiratory Failure
[description not available]		02.0510
Bronchial Diseases
Diseases involving the BRONCHI.		02.0510
Necrosis
The death of cells in an organ or tissue due to disease, injury or failure of the blood supply.		03.260
Respiratory Insufficiency
Failure to adequately provide oxygen to cells of the body and to remove excess carbon dioxide from them. (Stedman, 25th ed)		02.0510
Breathing Sounds
[description not available]		02.0710
Respiratory Sounds
Noises, normal and abnormal, heard on auscultation over any part of the RESPIRATORY TRACT.		02.0710
Parasitemia
The presence of parasites (especially malarial parasites) in the blood. (Dorland, 27th ed)		02.0610
Allodynia
[description not available]		02.0610
Nerve Pain
[description not available]		02.0610
Neuralgia
Intense or aching pain that occurs along the course or distribution of a peripheral or cranial nerve.		02.0610
Hyperlipemia
[description not available]		02.3820
Hyperlipidemias
Conditions with excess LIPIDS in the blood.		02.3820
Smoking Cessation
Discontinuing the habit of SMOKING.		02.0610
Diseases of Endocrine System
[description not available]		02.9910
Endocrine System Diseases
Pathological processes of the ENDOCRINE GLANDS, and diseases resulting from abnormal level of available HORMONES.		02.9910
Central Nervous System Disease
[description not available]		02.6630
Central Nervous System Diseases
Diseases of any component of the brain (including the cerebral hemispheres, diencephalon, brain stem, and cerebellum) or the spinal cord.		02.6630
Complications, Neoplastic Pregnancy
[description not available]		02.0710
Monosomy
The condition in which one chromosome of a pair is missing. In a normally diploid cell it is represented symbolically as 2N-1.		03.2860
Chromosomal Triplication
[description not available]		03.3770
Myelomonocytic Leukemia, Chronic
[description not available]		02.0710
Leukemia, Myelomonocytic, Chronic
A myelodysplastic-myeloproliferative disease characterized by monocytosis, increased monocytes in the bone marrow, variable degrees of dysplasia, but an absence of immature granulocytes in the blood.		02.0710
HIV
Human immunodeficiency virus. A non-taxonomic and historical term referring to any of two species, specifically HIV-1 and/or HIV-2. Prior to 1986, this was called human T-lymphotropic virus type III/lymphadenopathy-associated virus (HTLV-III/LAV). From 1986-1990, it was an official species called HIV. Since 1991, HIV was no longer considered an official species name; the two species were designated HIV-1 and HIV-2.		02.4620
Amyloid Deposits
[description not available]		02.0110
Adjuvant Arthritis
[description not available]		02.4120
Infections, Ureaplasma
[description not available]		02.0110
Adenomatous Polyps
Benign neoplasms derived from glandular epithelium. (From Stedman, 25th ed)		02.0110
Gastric Diseases
[description not available]		02.0110
Gastric Ulcer
[description not available]		02.3820
Gastritis, Atrophic
GASTRITIS with atrophy of the GASTRIC MUCOSA, the GASTRIC PARIETAL CELLS, and the mucosal glands leading to ACHLORHYDRIA. Atrophic gastritis usually progresses from chronic gastritis.		02.0110
Stomach Ulcer
Ulceration of the GASTRIC MUCOSA due to contact with GASTRIC JUICE. It is often associated with HELICOBACTER PYLORI infection or consumption of nonsteroidal anti-inflammatory drugs (NSAIDS).		02.3820
Agranulocytosis
A decrease in the number of GRANULOCYTES; (BASOPHILS; EOSINOPHILS; and NEUTROPHILS).		04.65110
Infection
[description not available]		03.2620
Infections
Invasion of the host organism by microorganisms or their toxins or by parasites that can cause pathological conditions or diseases.		03.2620
Muscle Contraction
A process leading to shortening and/or development of tension in muscle tissue. Muscle contraction occurs by a sliding filament mechanism whereby actin filaments slide inward among the myosin filaments.		02.8640
Di Guglielmo Disease
[description not available]		04.87140
Erythrocytosis
[description not available]		03.1960
Leukemia, Erythroblastic, Acute
A myeloproliferative disorder characterized by neoplastic proliferation of erythroblastic and myeloblastic elements with atypical erythroblasts and myeloblasts in the peripheral blood.		04.87140
Poisoning, Lead
[description not available]		06.4420
Lead Poisoning
Poisoning that results from chronic or acute ingestion, injection, inhalation, or skin absorption of LEAD or lead compounds.		06.4420
Eosinophilia, Tropical
[description not available]		02.8540
Leukocyte Disorders
Disordered formation of various types of leukocytes or an abnormal accumulation or deficiency of these cells.		03.3270
Eosinophilia
Abnormal increase of EOSINOPHILS in the blood, tissues or organs.		02.8540
Contact Dermatitis
[description not available]		04.65110
Dermatitis
Any inflammation of the skin.		02.6230
Dermatitis, Contact
A type of acute or chronic skin reaction in which sensitivity is manifested by reactivity to materials or substances coming in contact with the skin. It may involve allergic or non-allergic mechanisms.		04.65110
Diseases of Immune System
[description not available]		03.9550
Immune System Diseases
Disorders caused by abnormal or absent immunologic mechanisms, whether humoral, cell-mediated, or both.		03.9550
Leukorrhea
A clear or white discharge from the VAGINA, consisting mainly of MUCUS.		01.9310
Arsenic Encephalopathy
[description not available]		04.5860
Complications, Pregnancy
[description not available]		04.3680
Acute Hemolytic Transfusion Reaction
[description not available]		01.9310
Hemosiderosis
Conditions in which there is a generalized increase in the iron stores of body tissues, particularly of liver and the MONONUCLEAR PHAGOCYTE SYSTEM, without demonstrable tissue damage. The name refers to the presence of stainable iron in the tissue in the form of hemosiderin.		07.6330
Transfusion Reaction
Complications of BLOOD TRANSFUSION. Included adverse reactions are common allergic and febrile reactions; hemolytic (delayed and acute) reactions; and other non-hemolytic adverse reactions such as infections and adverse immune reactions related to immunocompatibility.		01.9310
Experimental Hepatoma
[description not available]		03.65100
Leukemoid Reaction
A peripheral blood picture resembling that of leukemia or indistinguishable from it on the basis of morphologic appearance alone. (Dorland, 27th ed)		07.3420
Hyperplasia
An increase in the number of cells in a tissue or organ without tumor formation. It differs from HYPERTROPHY, which is an increase in bulk without an increase in the number of cells.		09.65110
Hypertrophy
General increase in bulk of a part or organ due to CELL ENLARGEMENT and accumulation of FLUIDS AND SECRETIONS, not due to tumor formation, nor to an increase in the number of cells (HYPERPLASIA).		03.7421
Hemorrhagic Diathesis
[description not available]		04.7170
Hemorrhagic Disorders
Spontaneous or near spontaneous bleeding caused by a defect in clotting mechanisms (BLOOD COAGULATION DISORDERS) or another abnormality causing a structural flaw in the blood vessels (HEMOSTATIC DISORDERS).		04.7170
Acne
[description not available]		02.3420
Chloracne
ACNE-like skin eruptions caused by exposure to CHLORINE-containing compounds. Exposure can be by inhalation, ingestion, or through the skin. Chloracne is often seen in people who have occupational contact with chlorinated pesticides, wood preservatives, and sealants.		01.9310
Acne Vulgaris
A chronic disorder of the pilosebaceous apparatus associated with an increase in sebum secretion. It is characterized by open comedones (blackheads), closed comedones (whiteheads), and pustular nodules. The cause is unknown, but heredity and age are predisposing factors.		02.3420
Cholera Infantum
[description not available]		03.7740
EHS Tumor
[description not available]		03.66100
Reticulum Cell-Like Sarcoma, Yoshida
[description not available]		01.9310
Erythremia
[description not available]		02.8540
Polycythemia Vera
A myeloproliferative disorder of unknown etiology, characterized by abnormal proliferation of all hematopoietic bone marrow elements and an absolute increase in red cell mass and total blood volume, associated frequently with splenomegaly, leukocytosis, and thrombocythemia. Hematopoiesis is also reactive in extramedullary sites (liver and spleen). In time myelofibrosis occurs.		02.8540
Petechiae
Pinhead size (3 mm) skin discolorization due to hemorrhage.		03.0350
Purpura
Purplish or brownish red discoloration, easily visible through the epidermis, caused by hemorrhage into the tissues. When the size of the discolorization is		08.0350
Anemia, Leukoerythroblastic
[description not available]		03.4480
Neoplasms, Bone Marrow
[description not available]		02.3320
Bone Marrow Neoplasms
Neoplasms located in the bone marrow. They are differentiated from neoplasms composed of bone marrow cells, such as MULTIPLE MYELOMA. Most bone marrow neoplasms are metastatic.		02.3320
Anaphylactic Reaction
[description not available]		02.6230
Anaphylaxis
An acute hypersensitivity reaction due to exposure to a previously encountered ANTIGEN. The reaction may include rapidly progressing URTICARIA, respiratory distress, vascular collapse, systemic SHOCK, and death.		07.6230
Abscess, Amebic
[description not available]		01.9310
Amebiasis, Intestinal
[description not available]		02.3420
Amebiasis
Infection with any of various amebae. It is an asymptomatic carrier state in most individuals, but diseases ranging from chronic, mild diarrhea to fulminant dysentery may occur.		01.9310
Adenohypophyseal Diseases
[description not available]		01.9310
Pituitary Diseases
Disorders involving either the ADENOHYPOPHYSIS or the NEUROHYPOPHYSIS. These diseases usually manifest as hypersecretion or hyposecretion of PITUITARY HORMONES. Neoplastic pituitary masses can also cause compression of the OPTIC CHIASM and other adjacent structures.		01.9310
Acrocephaly
Premature closing of the lambdoid and coronal sutures.		02.8440
Cranial Nerve II Diseases
[description not available]		02.8440
Craniosynostoses
Premature closure of one or more CRANIAL SUTURES. It often results in plagiocephaly. Craniosynostoses that involve multiple sutures are sometimes associated with congenital syndromes such as ACROCEPHALOSYNDACTYLIA; and CRANIOFACIAL DYSOSTOSIS.		02.8440
Optic Atrophy
Atrophy of the optic disk which may be congenital or acquired. This condition indicates a deficiency in the number of nerve fibers which arise in the RETINA and converge to form the OPTIC DISK; OPTIC NERVE; OPTIC CHIASM; and optic tracts. GLAUCOMA; ISCHEMIA; inflammation, a chronic elevation of intracranial pressure, toxins, optic nerve compression, and inherited conditions (see OPTIC ATROPHIES, HEREDITARY) are relatively common causes of this condition.		02.8440
Optic Nerve Diseases
Conditions which produce injury or dysfunction of the second cranial or optic nerve, which is generally considered a component of the central nervous system. Damage to optic nerve fibers may occur at or near their origin in the retina, at the optic disk, or in the nerve, optic chiasm, optic tract, or lateral geniculate nuclei. Clinical manifestations may include decreased visual acuity and contrast sensitivity, impaired color vision, and an afferent pupillary defect.		02.8440
Lymphocytosis
Excess of normal lymphocytes in the blood or in any effusion.		07.8640
Leukemia, Myeloid, Acute, M4
[description not available]		01.9310
Leukemia, Myelomonocytic, Acute
A pediatric acute myeloid leukemia involving both myeloid and monocytoid precursors. At least 20% of non-erythroid cells are of monocytic origin.		01.9310
Arthus Phenomenon
[description not available]		06.9310
Vaccinia
The cutaneous and occasional systemic reactions associated with vaccination using smallpox (variola) vaccine.		06.9310
Anemia, Cooley's
[description not available]		02.6230
beta-Thalassemia
A disorder characterized by reduced synthesis of the beta chains of hemoglobin. There is retardation of hemoglobin A synthesis in the heterozygous form (thalassemia minor), which is asymptomatic, while in the homozygous form (thalassemia major, Cooley's anemia, Mediterranean anemia, erythroblastic anemia), which can result in severe complications and even death, hemoglobin A synthesis is absent.		02.6230
Agnogenic Myeloid Metaplasia
[description not available]		04.66110
Tuberculosis, Miliary
An acute form of TUBERCULOSIS in which minute tubercles are formed in a number of organs of the body due to dissemination of the bacilli through the blood stream.		01.9310
Primary Myelofibrosis
A de novo myeloproliferation arising from an abnormal stem cell. It is characterized by the replacement of bone marrow by fibrous tissue, a process that is mediated by CYTOKINES arising from the abnormal clone.		04.66110
Thalassemias
[description not available]		02.8640
Thalassemia
A group of hereditary hemolytic anemias in which there is decreased synthesis of one or more hemoglobin polypeptide chains. There are several genetic types with clinical pictures ranging from barely detectable hematologic abnormality to severe and fatal anemia.		02.8640
Myelopathy
[description not available]		02.8540
Spinal Cord Diseases
Pathologic conditions which feature SPINAL CORD damage or dysfunction, including disorders involving the meninges and perimeningeal spaces surrounding the spinal cord. Traumatic injuries, vascular diseases, infections, and inflammatory/autoimmune processes may affect the spinal cord.		02.8540
Leukocytosis
A transient increase in the number of leukocytes in a body fluid.		03.4580
Hepatitis, Infectious
[description not available]		03.3270
Hepatitis
INFLAMMATION of the LIVER.		08.73110
Hepatitis A
INFLAMMATION of the LIVER in humans caused by a member of the HEPATOVIRUS genus, HUMAN HEPATITIS A VIRUS. It can be transmitted through fecal contamination of food or water.		03.3270
Dysentery
Acute inflammation of the intestine associated with infectious DIARRHEA of various etiologies, generally acquired by eating contaminated food containing TOXINS, BIOLOGICAL derived from BACTERIA or other microorganisms. Dysentery is characterized initially by watery FECES then by bloody mucoid stools. It is often associated with ABDOMINAL PAIN; FEVER; and DEHYDRATION.		01.9310
Ventricular Fibrillation
A potentially lethal cardiac arrhythmia that is characterized by uncoordinated extremely rapid firing of electrical impulses (400-600/min) in HEART VENTRICLES. Such asynchronous ventricular quivering or fibrillation prevents any effective cardiac output and results in unconsciousness (SYNCOPE). It is one of the major electrocardiographic patterns seen with CARDIAC ARREST.		02.8540
Carbon Tetrachloride Poisoning
Poisoning that results from ingestion, injection, inhalation, or skin absorption of CARBON TETRACHLORIDE.		04.38220
Dermatomycoses
Superficial infections of the skin or its appendages by any of various fungi.		01.9310
Methemoglobinemia
The presence of methemoglobin in the blood, resulting in cyanosis. A small amount of methemoglobin is present in the blood normally, but injury or toxic agents convert a larger proportion of hemoglobin into methemoglobin, which does not function reversibly as an oxygen carrier. Methemoglobinemia may be due to a defect in the enzyme NADH methemoglobin reductase (an autosomal recessive trait) or to an abnormality in hemoglobin M (an autosomal dominant trait). (Dorland, 27th ed)		02.3520
Bronchial Pneumonia
[description not available]		02.6330
Cyanosis
A bluish or purplish discoloration of the skin and mucous membranes due to an increase in the amount of deoxygenated hemoglobin in the blood or a structural defect in the hemoglobin molecule.		02.3420
Melena
The black, tarry, foul-smelling FECES that contain degraded blood.		02.3420
Tachyarrhythmia
[description not available]		03.0450
Hematemesis
Vomiting of blood that is either fresh bright red, or older coffee-ground in character. It generally indicates bleeding of the UPPER GASTROINTESTINAL TRACT.		02.3420
Tachycardia
Abnormally rapid heartbeat, usually with a HEART RATE above 100 beats per minute for adults. Tachycardia accompanied by disturbance in the cardiac depolarization (cardiac arrhythmia) is called tachyarrhythmia.		03.0450
Poisoning, Mercury
[description not available]		05.2120
Mercury Poisoning
Poisoning that results from chronic or acute ingestion, injection, inhalation, or skin absorption of MERCURY or MERCURY COMPOUNDS.		05.2120
Decerebrate Posturing
[description not available]		02.3720
Calculosis
[description not available]		01.9310
Ureteral Calculi
Stones in the URETER that are formed in the KIDNEY. They are rarely more than 5 mm in diameter for larger renal stones cannot enter ureters. They are often lodged at the ureteral narrowing and can cause excruciating renal colic.		01.9310
Ureterolithiasis
Formation of stones in the URETER.		01.9310
Hypomenorrhea
[description not available]		02.8840
Porphyria
[description not available]		02.8640
Porphyrias
A diverse group of metabolic diseases characterized by errors in the biosynthetic pathway of HEME in the LIVER, the BONE MARROW, or both. They are classified by the deficiency of specific enzymes, the tissue site of enzyme defect, or the clinical features that include neurological (acute) or cutaneous (skin lesions). Porphyrias can be hereditary or acquired as a result of toxicity to the hepatic or erythropoietic marrow tissues.		02.8640
Fibrosarcoma
A sarcoma derived from deep fibrous tissue, characterized by bundles of immature proliferating fibroblasts with variable collagen formation, which tends to invade locally and metastasize by the bloodstream. (Stedman, 25th ed)		02.8640
Ataxia
Impairment of the ability to perform smoothly coordinated voluntary movements. This condition may affect the limbs, trunk, eyes, pharynx, larynx, and other structures. Ataxia may result from impaired sensory or motor function. Sensory ataxia may result from posterior column injury or PERIPHERAL NERVE DISEASES. Motor ataxia may be associated with CEREBELLAR DISEASES; CEREBRAL CORTEX diseases; THALAMIC DISEASES; BASAL GANGLIA DISEASES; injury to the RED NUCLEUS; and other conditions.		02.3520
Aura
[description not available]		01.9310
Absence Seizure Disorder
[description not available]		02.3520
Hallucination of Body Sensation
[description not available]		01.9310
Myoclonic Jerk
[description not available]		01.9310
Psychoses
[description not available]		01.9310
Epilepsy
A disorder characterized by recurrent episodes of paroxysmal brain dysfunction due to a sudden, disorderly, and excessive neuronal discharge. Epilepsy classification systems are generally based upon: (1) clinical features of the seizure episodes (e.g., motor seizure), (2) etiology (e.g., post-traumatic), (3) anatomic site of seizure origin (e.g., frontal lobe seizure), (4) tendency to spread to other structures in the brain, and (5) temporal patterns (e.g., nocturnal epilepsy). (From Adams et al., Principles of Neurology, 6th ed, p313)		01.9310
Epilepsy, Absence
A seizure disorder usually occurring in childhood characterized by rhythmic electrical brain discharges of generalized onset. Clinical features include a sudden cessation of ongoing activity usually without loss of postural tone. Rhythmic blinking of the eyelids or lip smacking frequently accompanies the SEIZURES. The usual duration is 5-10 seconds, and multiple episodes may occur daily. Juvenile absence epilepsy is characterized by the juvenile onset of absence seizures and an increased incidence of myoclonus and tonic-clonic seizures. (Menkes, Textbook of Child Neurology, 5th ed, p736)		02.3520
Hallucinations
Subjectively experienced sensations in the absence of an appropriate stimulus, but which are regarded by the individual as real. They may be of organic origin or associated with MENTAL DISORDERS.		01.9310
Psychotic Disorders
Disorders in which there is a loss of ego boundaries or a gross impairment in reality testing with delusions or prominent hallucinations. (From DSM-IV, 1994)		01.9310
Gall Bladder Diseases
[description not available]		01.9310
Injuries, Radiation
[description not available]		04.9390
Focal Neurologic Deficits
[description not available]		02.8640
Anemia, Hemolytic, Acquired
[description not available]		05.03100
Anemia, Hemolytic
A condition of inadequate circulating red blood cells (ANEMIA) or insufficient HEMOGLOBIN due to premature destruction of red blood cells (ERYTHROCYTES).		05.03100
Allergy, Drug
[description not available]		05.3980
Drug Hypersensitivity
Immunologically mediated adverse reactions to medicinal substances used legally or illegally.		05.3980
Complications, Hematologic Pregnancy
[description not available]		02.3420
Central Nervous System Origin Vertigo
[description not available]		01.9310
Asthenia
Clinical sign or symptom manifested as debility, or lack or loss of strength and energy.		01.9310
Vertigo
An illusion of movement, either of the external world revolving around the individual or of the individual revolving in space. Vertigo may be associated with disorders of the inner ear (EAR, INNER); VESTIBULAR NERVE; BRAINSTEM; or CEREBRAL CORTEX. Lesions in the TEMPORAL LOBE and PARIETAL LOBE may be associated with FOCAL SEIZURES that may feature vertigo as an ictal manifestation. (From Adams et al., Principles of Neurology, 6th ed, pp300-1)		01.9310
Alcoholic Intoxication
An acute brain syndrome which results from the excessive ingestion of ETHANOL or ALCOHOLIC BEVERAGES.		04.1160
Anterior Optic Neuritis
[description not available]		01.9410
Scotoma
A localized defect in the visual field bordered by an area of normal vision. This occurs with a variety of EYE DISEASES (e.g., RETINAL DISEASES and GLAUCOMA); OPTIC NERVE DISEASES, and other conditions.		01.9410
Optic Neuritis
Inflammation of the optic nerve. Commonly associated conditions include autoimmune disorders such as MULTIPLE SCLEROSIS, infections, and granulomatous diseases. Clinical features include retro-orbital pain that is aggravated by eye movement, loss of color vision, and contrast sensitivity that may progress to severe visual loss, an afferent pupillary defect (Marcus-Gunn pupil), and in some instances optic disc hyperemia and swelling. Inflammation may occur in the portion of the nerve within the globe (neuropapillitis or anterior optic neuritis) or the portion behind the globe (retrobulbar neuritis or posterior optic neuritis).		01.9410
Coma
A profound state of unconsciousness associated with depressed cerebral activity from which the individual cannot be aroused. Coma generally occurs when there is dysfunction or injury involving both cerebral hemispheres or the brain stem RETICULAR FORMATION.		02.3520
Gas Poisoning
Poisoning that results from exposure to gases such as CARBON MONOXIDE; NOBLE GASES; OXYGEN; or NATURAL GAS.		07.3720
Hospital-Acquired Condition
[description not available]		01.9410
Papilloma, Squamous Cell
[description not available]		04.4890
Papilloma
A circumscribed benign epithelial tumor projecting from the surrounding surface; more precisely, a benign epithelial neoplasm consisting of villous or arborescent outgrowths of fibrovascular stroma covered by neoplastic cells. (Stedman, 25th ed)		04.4890
Injuries
Used with anatomic headings, animals, and sports for wounds and injuries. Excludes cell damage, for which pathology is used.		02.3320
Wounds and Injuries
Damage inflicted on the body as the direct or indirect result of an external force, with or without disruption of structural continuity.		02.3320
Cardiac Output, Low
A state of subnormal or depressed cardiac output at rest or during stress. It is a characteristic of CARDIOVASCULAR DISEASES, including congenital, valvular, rheumatic, hypertensive, coronary, and cardiomyopathic. The serious form of low cardiac output is characterized by marked reduction in STROKE VOLUME, and systemic vasoconstriction resulting in cold, pale, and sometimes cyanotic extremities.		01.9410
Cardiac Diseases
[description not available]		02.3520
Heart Diseases
Pathological conditions involving the HEART including its structural and functional abnormalities.		02.3520
Deficiency, Factor 7
[description not available]		01.9310
Factor VII Deficiency
An autosomal recessive characteristic or a coagulation disorder acquired in association with VITAMIN K DEFICIENCY. FACTOR VII is a Vitamin K dependent glycoprotein essential to the extrinsic pathway of coagulation.		01.9310
Genetic Diseases, X-Chromosome Linked
[description not available]		02.3420
Hairy Cell Leukemia
[description not available]		08.3470
Bare Lymphocyte Syndrome
[description not available]		02.3420
Leukemia, Hairy Cell
A neoplastic disease of the lymphoreticular cells which is considered to be a rare type of chronic leukemia; it is characterized by an insidious onset, splenomegaly, anemia, granulocytopenia, thrombocytopenia, little or no lymphadenopathy, and the presence of hairy or flagellated cells in the blood and bone marrow.		03.3470
Severe Combined Immunodeficiency
Group of rare congenital disorders characterized by impairment of both humoral and cell-mediated immunity, leukopenia, and low or absent antibody levels. It is inherited as an X-linked or autosomal recessive defect. Mutations occurring in many different genes cause human Severe Combined Immunodeficiency (SCID).		02.3420
Parodontosis
[description not available]		02.3520
Periodontal Diseases
Pathological processes involving the PERIODONTIUM including the gum (GINGIVA), the alveolar bone (ALVEOLAR PROCESS), the DENTAL CEMENTUM, and the PERIODONTAL LIGAMENT.		02.3520
Adrenal Gland Hypofunction
[description not available]		01.9410
Adrenal Gland Hyperfunction
[description not available]		01.9410
Adrenocortical Hyperfunction
Excess production of ADRENAL CORTEX HORMONES such as ALDOSTERONE; HYDROCORTISONE; DEHYDROEPIANDROSTERONE; and/or ANDROSTENEDIONE. Hyperadrenal syndromes include CUSHING SYNDROME; HYPERALDOSTERONISM; and VIRILISM.		01.9410
Adrenal Insufficiency
Conditions in which the production of adrenal CORTICOSTEROIDS falls below the requirement of the body. Adrenal insufficiency can be caused by defects in the ADRENAL GLANDS, the PITUITARY GLAND, or the HYPOTHALAMUS.		01.9410
Blood Protein Disorders
Hematologic diseases caused by structural or functional defects of BLOOD PROTEINS.		02.3420
Fungal Diseases
[description not available]		01.9410
Mycoses
Diseases caused by FUNGI.		01.9410
Liver Steatosis
[description not available]		02.3520
Hepatitis, Animal
INFLAMMATION of the LIVER in non-human animals.		01.9410
Fatty Liver
Lipid infiltration of the hepatic parenchymal cells resulting in a yellow-colored liver. The abnormal lipid accumulation is usually in the form of TRIGLYCERIDES, either as a single large droplet or multiple small droplets. Fatty liver is caused by an imbalance in the metabolism of FATTY ACIDS.		02.3520
Anemia, Sideroblastic
Anemia characterized by the presence of erythroblasts containing excessive deposits of iron in the marrow.		03.2920
Enlarged Liver
[description not available]		02.3520
Enlarged Spleen
[description not available]		03.260
Skin Manifestations
Dermatologic disorders attendant upon non-dermatologic disease or injury.		01.9410
Anesthesia
A state characterized by loss of feeling or sensation. This depression of nerve function is usually the result of pharmacologic action and is induced to allow performance of surgery or other painful procedures.		03.0450
Pyrosis
[description not available]		01.9410
Ache
[description not available]		02.6730
Heartburn
Substernal pain or burning sensation, usually associated with regurgitation of gastric juice into the esophagus.		01.9410
Pain
An unpleasant sensation induced by noxious stimuli which are detected by NERVE ENDINGS of NOCICEPTIVE NEURONS.		02.6730
Gallbladder Dyskinesia
[description not available]		01.9410
Biliary Dyskinesia
A motility disorder characterized by biliary COLIC, absence of GALLSTONES, and an abnormal GALLBLADDER ejection fraction. It is caused by gallbladder dyskinesia and/or SPHINCTER OF ODDI DYSFUNCTION.		01.9410
Cholangitis
Inflammation of the biliary ductal system (BILE DUCTS); intrahepatic, extrahepatic, or both.		01.9410
Orphan Diseases
Rare diseases that have not been well studied.		01.9310
Palmoplantaris Pustulosis
[description not available]		02.3420
Psoriasis
A common genetically determined, chronic, inflammatory skin disease characterized by rounded erythematous, dry, scaling patches. The lesions have a predilection for nails, scalp, genitalia, extensor surfaces, and the lumbosacral region. Accelerated epidermopoiesis is considered to be the fundamental pathologic feature in psoriasis.		02.3420
Keratoderma Blennorrhagicum
[description not available]		01.9410
Keratosis
Any horny growth such as a wart or callus.		01.9410
Metaplasia
A condition in which there is a change of one adult cell type to another similar adult cell type.		06.9410
Splenic Diseases
Diseases involving the SPLEEN.		02.6430
Adenoma, Basal Cell
[description not available]		02.6330
Adenoma
A benign epithelial tumor with a glandular organization.		02.6330
Nanism
[description not available]		06.9310
Dwarfism
A genetic or pathological condition that is characterized by short stature and undersize. Abnormal skeletal growth usually results in an adult who is significantly below the average height.		01.9310
Recrudescence
[description not available]		04.3111
ATLL
[description not available]		01.9910
Leukemia-Lymphoma, Adult T-Cell
Aggressive T-Cell malignancy with adult onset, caused by HUMAN T-LYMPHOTROPIC VIRUS 1. It is endemic in Japan, the Caribbean basin, Southeastern United States, Hawaii, and parts of Central and South America and sub-Saharan Africa.		01.9910
Dementia Praecox
[description not available]		02.0210
Schizophrenia
A severe emotional disorder of psychotic depth characteristically marked by a retreat from reality with delusion formation, HALLUCINATIONS, emotional disharmony, and regressive behavior.		02.0210
Diffuse Parenchymal Lung Disease
[description not available]		02.3620
Lung Diseases, Interstitial
A diverse group of lung diseases that affect the lung parenchyma. They are characterized by an initial inflammation of PULMONARY ALVEOLI that extends to the interstitium and beyond leading to diffuse PULMONARY FIBROSIS. Interstitial lung diseases are classified by their etiology (known or unknown causes), and radiological-pathological features.		02.3620
Lassitude
[description not available]		02.0110
Fatigue
The state of weariness following a period of exertion, mental or physical, characterized by a decreased capacity for work and reduced efficiency to respond to stimuli.		02.0110
Dermatitis, Contact, Phototoxic
[description not available]		01.9210
Middle Ear Inflammation
[description not available]		02.3320
External Ear Inflammation
[description not available]		02.3320
Otitis Externa
Inflammation of the OUTER EAR including the external EAR CANAL, cartilages of the auricle (EAR CARTILAGE), and the TYMPANIC MEMBRANE.		02.3320
Otitis Media
Inflammation of the MIDDLE EAR including the AUDITORY OSSICLES and the EUSTACHIAN TUBE.		02.3320
Female Genital Diseases
[description not available]		01.9210
Genital Diseases, Female
Pathological processes involving the female reproductive tract (GENITALIA, FEMALE).		01.9210
Neutropenia
A decrease in the number of NEUTROPHILS found in the blood.		03.3570
Deficiency, Vitamin A
[description not available]		01.9310
Vitamin A Deficiency
A nutritional condition produced by a deficiency of VITAMIN A in the diet, characterized by NIGHT BLINDNESS and other ocular manifestations such as dryness of the conjunctiva and later of the cornea (XEROPHTHALMIA). Vitamin A deficiency is a very common problem worldwide, particularly in developing countries as a consequence of famine or shortages of vitamin A-rich foods. In the United States it is found among the urban poor, the elderly, alcoholics, and patients with malabsorption. (From Cecil Textbook of Medicine, 19th ed, p1179)		01.9310
Esophageal Varices
[description not available]		01.9310
Varices
[description not available]		01.9310
Esophageal and Gastric Varices
Dilated blood vessels in the ESOPHAGUS or GASTRIC FUNDUS that shunt blood from the portal circulation (PORTAL SYSTEM) to the systemic venous circulation. Often they are observed in individuals with portal hypertension (HYPERTENSION, PORTAL).		01.9310
Varicose Veins
Enlarged and tortuous VEINS.		01.9310
Corynebacterium diphtheriae Infection
[description not available]		01.9210
Diphtheria
A localized infection of mucous membranes or skin caused by toxigenic strains of CORYNEBACTERIUM DIPHTHERIAE. It is characterized by the presence of a pseudomembrane at the site of infection. DIPHTHERIA TOXIN, produced by C. diphtheriae, can cause myocarditis, polyneuritis, and other systemic toxic effects.		06.9210
Focal Infection
An infection at a specific location that may spread to another region of the body.		01.9310
Infections, Nematomorpha
[description not available]		01.9210
Helminthiasis
Infestation with parasitic worms of the helminth class.		01.9210
Mesothelioma
A tumor derived from mesothelial tissue (peritoneum, pleura, pericardium). It appears as broad sheets of cells, with some regions containing spindle-shaped, sarcoma-like cells and other regions showing adenomatous patterns. Pleural mesotheliomas have been linked to exposure to asbestos. (Dorland, 27th ed)		04.2740
Erythema
Redness of the skin produced by congestion of the capillaries. This condition may result from a variety of disease processes.		03.0350
IgA Vasculitis
A systemic non-thrombocytopenic purpura caused by HYPERSENSITIVITY VASCULITIS and deposition of IGA-containing IMMUNE COMPLEXES within the blood vessels throughout the body, including those in the kidney (KIDNEY GLOMERULUS). Clinical symptoms include URTICARIA; ERYTHEMA; ARTHRITIS; GASTROINTESTINAL HEMORRHAGE; and renal involvement. Most cases are seen in children after acute upper respiratory infections.		01.9210
Erysipeloid
An infection caused by Erysipelothrix rhusiopathiae that is almost wholly restricted to persons who in their occupation handle infected fish, shellfish, poultry, or meat. Three forms of this condition exist: a mild localized form manifested by local swelling and redness of the skin; a diffuse form that might present with fever; and a rare systemic form associated with endocarditis.		06.9210
Sphingolipid Storage Diseases
[description not available]		01.9210
Proteinuria
The presence of proteins in the urine, an indicator of KIDNEY DISEASES.		02.0210
Drug Overdose
Accidental or deliberate use of a medication or street drug in excess of normal dosage.		02.9310
Craniofacial Abnormalities
Congenital structural deformities, malformations, or other abnormalities of the cranium and facial bones.		02.0210
Abnormalities, Drug-Induced
Congenital abnormalities caused by medicinal substances or drugs of abuse given to or taken by the mother, or to which she is inadvertently exposed during the manufacture of such substances. The concept excludes abnormalities resulting from exposure to non-medicinal chemicals in the environment.		06.06210
Neuroblastoma
A common neoplasm of early childhood arising from neural crest cells in the sympathetic nervous system, and characterized by diverse clinical behavior, ranging from spontaneous remission to rapid metastatic progression and death. This tumor is the most common intraabdominal malignancy of childhood, but it may also arise from thorax, neck, or rarely occur in the central nervous system. Histologic features include uniform round cells with hyperchromatic nuclei arranged in nests and separated by fibrovascular septa. Neuroblastomas may be associated with the opsoclonus-myoclonus syndrome. (From DeVita et al., Cancer: Principles and Practice of Oncology, 5th ed, pp2099-2101; Curr Opin Oncol 1998 Jan;10(1):43-51)		02.6830
Leukemia, Acute Monocytic
[description not available]		03.76110
Leukemia, Monocytic, Acute
An acute myeloid leukemia in which 80% or more of the leukemic cells are of monocytic lineage including monoblasts, promonocytes, and MONOCYTES.		03.76110
Cancer of Lip
[description not available]		02.0210
Dermatitis, Irritant
A non-allergic contact dermatitis caused by prolonged exposure to irritants and not explained by delayed hypersensitivity mechanisms.		02.0210
Experimental Radiation Injuries
[description not available]		03.5830
Symptom Cluster
[description not available]		04.0430
Syndrome
A characteristic symptom complex.		04.0430
Cystic Fibrosis of Pancreas
[description not available]		02.9410
Cystic Fibrosis
An autosomal recessive genetic disease of the EXOCRINE GLANDS. It is caused by mutations in the gene encoding the CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR expressed in several organs including the LUNG, the PANCREAS, the BILIARY SYSTEM, and the SWEAT GLANDS. Cystic fibrosis is characterized by epithelial secretory dysfunction associated with ductal obstruction resulting in AIRWAY OBSTRUCTION; chronic RESPIRATORY INFECTIONS; PANCREATIC INSUFFICIENCY; maldigestion; salt depletion; and HEAT PROSTRATION.		02.9410
Achromatopsia
Severely deficient color perception, typically with monochromacy and reduced visual acuity. The atypical form can include normal visual acuity with pseudomonochromacy.		02.0310
Color Vision Defects
Defects of color vision are mainly hereditary traits but can be secondary to acquired or developmental abnormalities in the CONES (RETINA). Severity of hereditary defects of color vision depends on the degree of mutation of the ROD OPSINS genes (on X CHROMOSOME and CHROMOSOME 3) that code the photopigments for red, green and blue.		02.0310
Deficiency, IgA
[description not available]		02.420
African Lymphoma
[description not available]		02.0310
Burkitt Lymphoma
A form of undifferentiated malignant LYMPHOMA usually found in central Africa, but also reported in other parts of the world. It is commonly manifested as a large osteolytic lesion in the jaw or as an abdominal mass. B-cell antigens are expressed on the immature cells that make up the tumor in virtually all cases of Burkitt lymphoma. The Epstein-Barr virus (HERPESVIRUS 4, HUMAN) has been isolated from Burkitt lymphoma cases in Africa and it is implicated as the causative agent in these cases; however, most non-African cases are EBV-negative.		02.0310
Rodent Diseases
Diseases of rodents of the order RODENTIA. This term includes diseases of Sciuridae (squirrels), Geomyidae (gophers), Heteromyidae (pouched mice), Castoridae (beavers), Cricetidae (rats and mice), Muridae (Old World rats and mice), Erethizontidae (porcupines), and Caviidae (guinea pigs).		02.0310
Experimental Mammary Neoplasms
[description not available]		03.7940
Chromosome Inversion
An aberration in which a chromosomal segment is deleted and reinserted in the same place but turned 180 degrees from its original orientation, so that the gene sequence for the segment is reversed with respect to that of the rest of the chromosome.		02.9510
Hydrophobia
[description not available]		02.3320
Deficiency, Folic Acid
[description not available]		02.0310
Folic Acid Deficiency
A nutritional condition produced by a deficiency of FOLIC ACID in the diet. Many plant and animal tissues contain folic acid, abundant in green leafy vegetables, yeast, liver, and mushrooms but destroyed by long-term cooking. Alcohol interferes with its intermediate metabolism and absorption. Folic acid deficiency may develop in long-term anticonvulsant therapy or with use of oral contraceptives. This deficiency causes anemia, macrocytic anemia, and megaloblastic anemia. It is indistinguishable from vitamin B 12 deficiency in peripheral blood and bone marrow findings, but the neurologic lesions seen in B 12 deficiency do not occur. (Merck Manual, 16th ed)		02.0310
Athetoid Movements
[description not available]		02.0310
Schwartzman Phenomenon
[description not available]		01.9210
Asbestosis
A form of pneumoconiosis caused by inhalation of asbestos fibers which elicit potent inflammatory responses in the parenchyma of the lung. The disease is characterized by interstitial fibrosis of the lung, varying from scattered sites to extensive scarring of the alveolar interstitium.		07.3720
MODS
[description not available]		02.0410
Multiple Organ Failure
A progressive condition usually characterized by combined failure of several organs such as the lungs, liver, kidney, along with some clotting mechanisms, usually postinjury or postoperative.		02.0410
Bilateral Headache
[description not available]		02.420
Headache
The symptom of PAIN in the cranial region. It may be an isolated benign occurrence or manifestation of a wide variety of HEADACHE DISORDERS.		07.420
Cancer of Penis
[description not available]		01.9410
Penile Neoplasms
Cancers or tumors of the PENIS or of its component tissues.		01.9410
Aspergillus Infection
[description not available]		01.9410
Fungal Lung Diseases
[description not available]		01.9410
Aspergillosis
Infections with fungi of the genus ASPERGILLUS.		01.9410
Thrombocytopathy
[description not available]		03.9650
Blood Clot
[description not available]		01.9410
Blood Platelet Disorders
Disorders caused by abnormalities in platelet count or function.		03.9650
Thrombosis
Formation and development of a thrombus or blood clot in the blood vessel.		01.9410
Cirrhoses, Experimental Liver
[description not available]		01.9410
Great Pox
[description not available]		01.9410
Erythroplasia
A condition of the mucous membrane characterized by erythematous papular lesions.		06.9410
Syphilis
A contagious venereal disease caused by the spirochete TREPONEMA PALLIDUM.		01.9410
Cadmium Poisoning
Poisoning occurring after exposure to cadmium compounds or fumes. It may cause gastrointestinal syndromes, anemia, or pneumonitis.		01.9610
Acquired Immune Deficiency Syndrome
[description not available]		01.9610
Acquired Immunodeficiency Syndrome
An acquired defect of cellular immunity associated with infection by the human immunodeficiency virus (HIV), a CD4-positive T-lymphocyte count under 200 cells/microliter or less than 14% of total lymphocytes, and increased susceptibility to opportunistic infections and malignant neoplasms. Clinical manifestations also include emaciation (wasting) and dementia. These elements reflect criteria for AIDS as defined by the CDC in 1993.		01.9610
Obstructive Lung Diseases
[description not available]		02.8710
Lung Diseases, Obstructive
Any disorder marked by obstruction of conducting airways of the lung. AIRWAY OBSTRUCTION may be acute, chronic, intermittent, or persistent.		02.8710
Cell Transformation, Viral
An inheritable change in cells manifested by changes in cell division and growth and alterations in cell surface properties. It is induced by infection with a transforming virus.		01.9610
Cocarcinogenesis
The combination of two or more different factors in the production of cancer.		03.5830
Acid-Base Imbalance
Disturbances in the ACID-BASE EQUILIBRIUM of the body.		01.9610
Lymphocytopenia
[description not available]		09.89140
Lymphopenia
Reduction in the number of lymphocytes.		09.89140
Infectious Myelitis
[description not available]		01.9610
Demyelinative Myelitis
[description not available]		01.9610
Fish Diseases
Diseases of freshwater, marine, hatchery or aquarium fish. This term includes diseases of both teleosts (true fish) and elasmobranchs (sharks, rays and skates).		02.3820
Autosomal Chromosome Disorders
[description not available]		04.95150
Bone Diseases
Diseases of BONES.		02.8710
Familial Waldenstrom's Macroglobulinaemia
[description not available]		03.2720
Cancer of Ovary
[description not available]		02.8710
Gammapathy, Monoclonal
[description not available]		02.8710
Waldenstrom Macroglobulinemia
A lymphoproliferative disorder characterized by pleomorphic B-LYMPHOCYTES including PLASMA CELLS, with increased levels of monoclonal serum IMMUNOGLOBULIN M. There is lymphoplasmacytic cells infiltration into bone marrow and often other tissues, also known as lymphoplasmacytic lymphoma. Clinical features include ANEMIA; HEMORRHAGES; and hyperviscosity.		03.2720
Mycosis Fungoides
A chronic, malignant T-cell lymphoma of the skin. In the late stages, the LYMPH NODES and viscera are affected.		02.8710
Ovarian Neoplasms
Tumors or cancer of the OVARY. These neoplasms can be benign or malignant. They are classified according to the tissue of origin, such as the surface EPITHELIUM, the stromal endocrine cells, and the totipotent GERM CELLS.		02.8710
Paraproteinemias
A group of related diseases characterized by an unbalanced or disproportionate proliferation of immunoglobulin-producing cells, usually from a single clone. These cells frequently secrete a structurally homogeneous immunoglobulin (M-component) and/or an abnormal immunoglobulin.		02.8710
ENT Diseases
[description not available]		01.9610
Sore Throat
[description not available]		01.9610
Pharyngitis
Inflammation of the throat (PHARYNX).		01.9610
Cancer of the Thymus
[description not available]		02.8840
Thymus Neoplasms
Tumors or cancer of the THYMUS GLAND.		02.8840
Fetal Resorption
The disintegration and assimilation of the dead FETUS in the UTERUS at any stage after the completion of organogenesis which, in humans, is after the 9th week of GESTATION. It does not include embryo resorption (see EMBRYO LOSS).		03.5730
Viral Hepatitis, Human
[description not available]		03.2820
Hepatitis, Viral, Human
INFLAMMATION of the LIVER in humans due to infection by VIRUSES. There are several significant types of human viral hepatitis with infection caused by enteric-transmission (HEPATITIS A; HEPATITIS E) or blood transfusion (HEPATITIS B; HEPATITIS C; and HEPATITIS D).		03.2820
Preleukemia
Conditions in which the abnormalities in the peripheral blood or bone marrow represent the early manifestations of acute leukemia, but in which the changes are not of sufficient magnitude or specificity to permit a diagnosis of acute leukemia by the usual clinical criteria.		09.2740
Anemia, Hypochromic
Anemia characterized by a decrease in the ratio of the weight of hemoglobin to the volume of the erythrocyte, i.e., the mean corpuscular hemoglobin concentration is less than normal. The individual cells contain less hemoglobin than they could have under optimal conditions. Hypochromic anemia may be caused by iron deficiency from a low iron intake, diminished iron absorption, or excessive iron loss. It can also be caused by infections or other diseases, therapeutic drugs, lead poisoning, and other conditions. (Stedman, 25th ed; from Miale, Laboratory Medicine: Hematology, 6th ed, p393)		03.9750
Decreased Muscle Tone
[description not available]		01.9610
Convalescence
The period of recovery following an illness.		06.9510
Bone Diseases, Developmental
Diseases resulting in abnormal GROWTH or abnormal MORPHOGENESIS of BONES.		01.9510
Fetal Growth Restriction
[description not available]		03.0650
Fetal Growth Retardation
Failure of a FETUS to attain expected GROWTH.		03.0650
Deficiency, IgG
[description not available]		01.9610
Dysgammaglobulinemia
An immunologic deficiency state characterized by selective deficiencies of one or more, but not all, classes of immunoglobulins.		02.6630
Brain Embolism and Thrombosis
[description not available]		02.3620
Athletic Injuries
Injuries incurred during participation in competitive or non-competitive sports.		01.9510
Bleb
[description not available]		01.9510
Foot Diseases
Anatomical and functional disorders affecting the foot.		01.9510
Fetal Death
Death of the developing young in utero. BIRTH of a dead FETUS is STILLBIRTH.		02.8740
Schistosoma haematobia Infection
[description not available]		01.9810
Schistosomiasis haematobia
A human disease caused by the infection of parasitic worms SCHISTOSOMA HAEMATOBIUM. It is endemic in AFRICA and parts of the MIDDLE EAST. Tissue damages most often occur in the URINARY TRACT, specifically the URINARY BLADDER.		01.9810
Peripheral Nerve Diseases
[description not available]		01.9810
Peripheral Nervous System Diseases
Diseases of the peripheral nerves external to the brain and spinal cord, which includes diseases of the nerve roots, ganglia, plexi, autonomic nerves, sensory nerves, and motor nerves.		01.9810
Agricultural Worker Disease
[description not available]		02.6730
Angiosarcoma
[description not available]		01.9810
Hemangiosarcoma
A rare malignant neoplasm characterized by rapidly proliferating, extensively infiltrating, anaplastic cells derived from blood vessels and lining irregular blood-filled or lumpy spaces. (Stedman, 25th ed)		01.9810
Dermatitis, Occupational
A recurrent contact dermatitis caused by substances found in the work place.		03.260
Dermatosclerosis
[description not available]		01.9810
Scleroderma, Localized
A term used to describe a variety of localized asymmetrical SKIN thickening that is similar to those of SYSTEMIC SCLERODERMA but without the disease features in the multiple internal organs and BLOOD VESSELS. Lesions may be characterized as patches or plaques (morphea), bands (linear), or nodules.		01.9810
Bacterial Endocarditides
[description not available]		01.9810
Endocarditis, Bacterial
Inflammation of the ENDOCARDIUM caused by BACTERIA that entered the bloodstream. The strains of bacteria vary with predisposing factors, such as CONGENITAL HEART DEFECTS; HEART VALVE DISEASES; HEART VALVE PROSTHESIS IMPLANTATION; or intravenous drug use.		01.9810
Calcinosis-Raynaud Phenomenon-Sclerodactyly-Telangiectasia
[description not available]		01.9810
Marchiafava-Micheli Syndrome
[description not available]		03.0550
Hemoglobinuria, Paroxysmal
A condition characterized by the recurrence of HEMOGLOBINURIA caused by intravascular HEMOLYSIS. In cases occurring upon cold exposure (paroxysmal cold hemoglobinuria), usually after infections, there is a circulating antibody which is also a cold hemolysin. In cases occurring during or after sleep (paroxysmal nocturnal hemoglobinuria), the clonal hematopoietic stem cells exhibit a global deficiency of cell membrane proteins.		03.0550
Flaccid Quadriplegia
[description not available]		01.9810
Adipocere
[description not available]		01.9810
Hyperactivity, Motor
[description not available]		01.9910
Histiocytic Disorders, Malignant
Distinctive neoplastic disorders of histiocytes. Included are malignant neoplasms of MACROPHAGES and DENDRITIC CELLS.		01.9910
Biliary Tract Cancer
[description not available]		02.9110
Cancer of Cervix
[description not available]		02.9110
Biliary Tract Neoplasms
Tumors or cancer in the BILIARY TRACT including the BILE DUCTS and the GALLBLADDER.		02.9110
Uterine Cervical Neoplasms
Tumors or cancer of the UTERINE CERVIX.		02.9110
Chemical Sensitivities, Multiple
[description not available]		02.9110
Acute-Phase Reaction
An early local inflammatory reaction to insult or injury that consists of fever, an increase in inflammatory humoral factors, and an increased synthesis by hepatocytes of a number of proteins or glycoproteins usually found in the plasma.		02.9110
Disseminated Superficial Actinic Porokeratosis
[description not available]		01.9910
Porokeratosis
A heritable disorder of faulty keratinization characterized by the proliferation of abnormal clones of KERATINOCYTES and lesions showing varying atrophic patches surrounded by an elevated, keratotic border. These keratotic lesions can progress to overt cutaneous neoplasm. Several clinical variants are recognized, including porokeratosis of Mibelli, linear porokeratosis, disseminated superficial actinic porokeratosis, palmoplantar porokeratosis, and punctate porokeratosis.		06.9910
Fungus Poisoning
[description not available]		01.9910
Developmental Psychomotor Disorders
[description not available]		01.9910
Chronic Fatigue and Immune Dysfunction Syndrome
[description not available]		0210
Fatigue Syndrome, Chronic
A syndrome characterized by persistent or recurrent fatigue, diffuse musculoskeletal pain, sleep disturbances, and subjective cognitive impairment of 6 months duration or longer. Symptoms are not caused by ongoing exertion; are not relieved by rest; and result in a substantial reduction of previous levels of occupational, educational, social, or personal activities. Minor alterations of immune, neuroendocrine, and autonomic function may be associated with this syndrome. There is also considerable overlap between this condition and FIBROMYALGIA. (From Semin Neurol 1998;18(2):237-42; Ann Intern Med 1994 Dec 15;121(12): 953-9)		0210
Beryllium Disease
Disease resulting from exposure to beryllium. Entry into the body is not limited to the inhalation route.		0210
Berylliosis
A form of pneumoconiosis caused by inhaled rare metal BERYLLIUM or its soluble salts which are used in a wide variety of industry including alloys, ceramics, radiographic equipment, and vacuum tubes. Berylliosis is characterized by an acute inflammatory reaction in the upper airway leading to BRONCHIOLITIS; PULMONARY EDEMA; and pneumonia.		0210
Allergy, Latex
[description not available]		0210
Hypospermatogenesis
[description not available]		0210
Oligomenorrhea
Abnormally infrequent menstruation.		0210
Dermatitis, Contact, Photoallergic
[description not available]		0210
Maggot Infestations
[description not available]		02.0110
Ovine Diseases
[description not available]		02.0110
Impotence
[description not available]		02.0110
Cavernitis, Fibrous
[description not available]		02.0110
Erectile Dysfunction
The inability in the male to have a PENILE ERECTION due to psychological or organ dysfunction.		02.0110
Penile Induration
A condition characterized by hardening of the PENIS due to the formation of fibrous plaques on the dorsolateral aspect of the PENIS, usually involving the membrane (tunica albuginea) surrounding the erectile tissue (corpus cavernosum penis). This may eventually cause a painful deformity of the shaft or constriction of the urethra, or both.		02.0110
Convulsions, Grand Mal
[description not available]		01.9510
Epilepsy, Tonic-Clonic
A generalized seizure disorder characterized by recurrent major motor seizures. The initial brief tonic phase is marked by trunk flexion followed by diffuse extension of the trunk and extremities. The clonic phase features rhythmic flexor contractions of the trunk and limbs, pupillary dilation, elevations of blood pressure and pulse, urinary incontinence, and tongue biting. This is followed by a profound state of depressed consciousness (post-ictal state) which gradually improves over minutes to hours. The disorder may be cryptogenic, familial, or symptomatic (caused by an identified disease process). (From Adams et al., Principles of Neurology, 6th ed, p329)		01.9510
Diffuse Large B-Cell Lymphoma
[description not available]		02.6430
Lymphoma, Large B-Cell, Diffuse
Malignant lymphoma composed of large B lymphoid cells whose nuclear size can exceed normal macrophage nuclei, or more than twice the size of a normal lymphocyte. The pattern is predominantly diffuse. Most of these lymphomas represent the malignant counterpart of B-lymphocytes at midstage in the process of differentiation.		02.6430
Hives
[description not available]		01.9510
Urticaria
A vascular reaction of the skin characterized by erythema and wheal formation due to localized increase of vascular permeability. The causative mechanism may be allergy, infection, or stress.		01.9510
Peritoneal Carcinomatosis
[description not available]		03.2720
Neoplasms, Pleural
[description not available]		01.9510
Peritoneal Neoplasms
Tumors or cancer of the PERITONEUM.		03.2720
Depth Intoxication
[description not available]		01.9510
Remission, Spontaneous
A spontaneous diminution or abatement of a disease over time, without formal treatment.		01.9510
Carcinoma, Basal Cell, Pigmented
[description not available]		02.8710
Cancer of Eye
[description not available]		02.8710
Eye Cancer, Retinoblastoma
[description not available]		02.8710
Multiple Primary Neoplasms
[description not available]		03.2820
Carcinoma, Basal Cell
A malignant skin neoplasm that seldom metastasizes but has potentialities for local invasion and destruction. Clinically it is divided into types: nodular, cicatricial, morphaic, and erythematoid (pagetoid). They develop on hair-bearing skin, most commonly on sun-exposed areas. Approximately 85% are found on the head and neck area and the remaining 15% on the trunk and limbs. (From DeVita Jr et al., Cancer: Principles & Practice of Oncology, 3d ed, p1471)		02.8710
Retinoblastoma
A malignant tumor arising from the nuclear layer of the retina that is the most common primary tumor of the eye in children. The tumor tends to occur in early childhood or infancy and may be present at birth. The majority are sporadic, but the condition may be transmitted as an autosomal dominant trait. Histologic features include dense cellularity, small round polygonal cells, and areas of calcification and necrosis. An abnormal pupil reflex (leukokoria); NYSTAGMUS, PATHOLOGIC; STRABISMUS; and visual loss represent common clinical characteristics of this condition. (From DeVita et al., Cancer: Principles and Practice of Oncology, 5th ed, p2104)		02.8710
Eczema, Atopic
[description not available]		01.9510
Dermatitis, Atopic
A chronic inflammatory genetically determined disease of the skin marked by increased ability to form reagin (IgE), with increased susceptibility to allergic rhinitis and asthma, and hereditary disposition to a lowered threshold for pruritus. It is manifested by lichenification, excoriation, and crusting, mainly on the flexural surfaces of the elbow and knee. In infants it is known as infantile eczema.		01.9510
Cardiac Neurosis
[description not available]		01.9510
Atrophy, Muscle
[description not available]		01.9510
Muscular Atrophy
Derangement in size and number of muscle fibers occurring with aging, reduction in blood supply, or following immobilization, prolonged weightlessness, malnutrition, and particularly in denervation.		01.9510
Intraocular Pressure
The pressure of the fluids in the eye.		02.3520
Finger Injuries
General or unspecified injuries involving the fingers.		01.9510
Arrhythmia
[description not available]		02.6330
Arrhythmias, Cardiac
Any disturbances of the normal rhythmic beating of the heart or MYOCARDIAL CONTRACTION. Cardiac arrhythmias can be classified by the abnormalities in HEART RATE, disorders of electrical impulse generation, or impulse conduction.		02.6330
Cancer of Intestines
[description not available]		01.9510
Intestinal Neoplasms
Tumors or cancer of the INTESTINES.		01.9510
Polyploid
[description not available]		01.9510
Granulomas
[description not available]		01.9510
Bilharziasis
[description not available]		03.5530
Granuloma
A relatively small nodular inflammatory lesion containing grouped mononuclear phagocytes, caused by infectious and noninfectious agents.		01.9510
Schistosomiasis
Infection with flukes (trematodes) of the genus SCHISTOSOMA. Three species produce the most frequent clinical diseases: SCHISTOSOMA HAEMATOBIUM (endemic in Africa and the Middle East), SCHISTOSOMA MANSONI (in Egypt, northern and southern Africa, some West Indies islands, northern 2/3 of South America), and SCHISTOSOMA JAPONICUM (in Japan, China, the Philippines, Celebes, Thailand, Laos). S. mansoni is often seen in Puerto Ricans living in the United States.		03.5530
Skin Ulcer
An ULCER of the skin and underlying tissues.		01.9510
Pyrexia
[description not available]		02.3520
Fever
An abnormal elevation of body temperature, usually as a result of a pathologic process.		02.3520
Nephrosis
Pathological processes of the KIDNEY without inflammatory or neoplastic components. Nephrosis may be a primary disorder or secondary complication of other diseases. It is characterized by the NEPHROTIC SYNDROME indicating the presence of PROTEINURIA and HYPOALBUMINEMIA with accompanying EDEMA.		01.9510
HbS Disease
[description not available]		02.6430
Anemia, Sickle Cell
A disease characterized by chronic hemolytic anemia, episodic painful crises, and pathologic involvement of many organs. It is the clinical expression of homozygosity for hemoglobin S.		02.6430
Deficiency of Glucose-6-Phosphate Dehydrogenase
[description not available]		01.9510
Glucosephosphate Dehydrogenase Deficiency
A disease-producing enzyme deficiency subject to many variants, some of which cause a deficiency of GLUCOSE-6-PHOSPHATE DEHYDROGENASE activity in erythrocytes, leading to hemolytic anemia.		01.9510
Bronchitis
Inflammation of the large airways in the lung including any part of the BRONCHI, from the PRIMARY BRONCHI to the TERTIARY BRONCHI.		02.3620
47,XX,+21
[description not available]		02.8640
Antibody Deficiency Syndrome
[description not available]		02.6630
Down Syndrome
A chromosome disorder associated either with an extra chromosome 21 or an effective trisomy for chromosome 21. Clinical manifestations include hypotonia, short stature, brachycephaly, upslanting palpebral fissures, epicanthus, Brushfield spots on the iris, protruding tongue, small ears, short, broad hands, fifth finger clinodactyly, Simian crease, and moderate to severe INTELLECTUAL DISABILITY. Cardiac and gastrointestinal malformations, a marked increase in the incidence of LEUKEMIA, and the early onset of ALZHEIMER DISEASE are also associated with this condition. Pathologic features include the development of NEUROFIBRILLARY TANGLES in neurons and the deposition of AMYLOID BETA-PROTEIN, similar to the pathology of ALZHEIMER DISEASE. (Menkes, Textbook of Child Neurology, 5th ed, p213)		02.8640
Immunologic Deficiency Syndromes
Syndromes in which there is a deficiency or defect in the mechanisms of immunity, either cellular or humoral.		02.6630
Soft Tissue Neoplasms
Neoplasms of whatever cell type or origin, occurring in the extraskeletal connective tissue framework of the body including the organs of locomotion and their various component structures, such as nerves, blood vessels, lymphatics, etc.		01.9810
Leukemia L 1210
[description not available]		01.9810
Edema-Proteinuria-Hypertension Gestosis
[description not available]		01.9710
Pre-Eclampsia
A complication of PREGNANCY, characterized by a complex of symptoms including maternal HYPERTENSION and PROTEINURIA with or without pathological EDEMA. Symptoms may range between mild and severe. Pre-eclampsia usually occurs after the 20th week of gestation, but may develop before this time in the presence of trophoblastic disease.		01.9710
alpha 1-Antitrypsin Deficiency
Deficiency of the protease inhibitor ALPHA 1-ANTITRYPSIN that manifests primarily as PULMONARY EMPHYSEMA and LIVER CIRRHOSIS.		01.9710
Respiratory Tract Neoplasms
New abnormal growth of tissue in the RESPIRATORY SYSTEM.		02.3620
Plasma Cell Tumor
[description not available]		01.9610
Dysembryoma
[description not available]		01.9610
Cancer of Testis
[description not available]		01.9610
Plasmacytoma
Any discrete, presumably solitary, mass of neoplastic PLASMA CELLS either in BONE MARROW or various extramedullary sites.		06.9610
Teratoma
A true neoplasm composed of a number of different types of tissue, none of which is native to the area in which it occurs. It is composed of tissues that are derived from three germinal layers, the endoderm, mesoderm, and ectoderm. They are classified histologically as mature (benign) or immature (malignant). (From DeVita Jr et al., Cancer: Principles & Practice of Oncology, 3d ed, p1642)		01.9610
Testicular Neoplasms
Tumors or cancer of the TESTIS. Germ cell tumors (GERMINOMA) of the testis constitute 95% of all testicular neoplasms.		01.9610
Bodily Distress Disorder
[description not available]		01.9710
Brown Lung
[description not available]		02.3720
Anemia, Megaloblastic
A disorder characterized by the presence of ANEMIA, abnormally large red blood cells (megalocytes or macrocytes), and MEGALOBLASTS.		01.9710
Colitis Gravis
[description not available]		01.9710
Colitis, Ulcerative
Inflammation of the COLON that is predominantly confined to the MUCOSA. Its major symptoms include DIARRHEA, rectal BLEEDING, the passage of MUCUS, and ABDOMINAL PAIN.		01.9710
Cancer of Kidney
[description not available]		02.3720
Kidney Neoplasms
Tumors or cancers of the KIDNEY.		02.3720
Leukemia L5178
An experimental lymphocytic leukemia of mice.		01.9610
Cancer of Larynx
[description not available]		02.3620
Laryngeal Neoplasms
Cancers or tumors of the LARYNX or any of its parts: the GLOTTIS; EPIGLOTTIS; LARYNGEAL CARTILAGES; LARYNGEAL MUSCLES; and VOCAL CORDS.		02.3620
Acute Kidney Tubular Necrosis
[description not available]		02.8810
Anti-GBM Disease
[description not available]		03.2720
Kidney Tubular Necrosis, Acute
Acute kidney failure resulting from destruction of EPITHELIAL CELLS of the KIDNEY TUBULES. It is commonly attributed to exposure to toxic agents or renal ISCHEMIA following severe TRAUMA.		02.8810
Anti-Glomerular Basement Membrane Disease
An autoimmune disease of the KIDNEY and the LUNG. It is characterized by the presence of circulating autoantibodies targeting the epitopes in the non-collagenous domains of COLLAGEN TYPE IV in the basement membranes of kidney glomeruli (KIDNEY GLOMERULUS) and lung alveoli (PULMONARY ALVEOLI), and the subsequent destruction of these basement membranes. Clinical features include pulmonary alveolar hemorrhage and glomerulonephritis.		03.2720
Starvation
Lengthy and continuous deprivation of food. (Stedman, 25th ed)		02.3520
Cephalgia, Vascular
[description not available]		01.9610
Arteriosclerosis Obliterans
Common occlusive arterial disease which is caused by ATHEROSCLEROSIS. It is characterized by lesions in the innermost layer (ARTERIAL INTIMA) of arteries including the AORTA and its branches to the extremities. Risk factors include smoking, HYPERLIPIDEMIA, and HYPERTENSION.		01.9410
Arrhythmia, Sinoatrial
[description not available]		01.9410
Cardiac Complex, Premature
[description not available]		01.9410
Shock, Cardiogenic
Shock resulting from diminution of cardiac output in heart disease.		01.9410
Placental Abruption
[description not available]		01.9510
Abruptio Placentae
Premature separation of the normally implanted PLACENTA from the UTERUS. Signs of varying degree of severity include UTERINE BLEEDING, uterine MUSCLE HYPERTONIA, and FETAL DISTRESS or FETAL DEATH.		01.9510
Eye Manifestations
Ocular disorders attendant upon non-ocular disease or injury.		02.8610
Hand Dermatosis
[description not available]		01.9410
Hand Dermatoses
Skin diseases involving the HANDS.		01.9410
Besnier-Boeck Disease
[description not available]		01.9410
Sarcoidosis
An idiopathic systemic inflammatory granulomatous disorder comprised of epithelioid and multinucleated giant cells with little necrosis. It usually invades the lungs with fibrosis and may also involve lymph nodes, skin, liver, spleen, eyes, phalangeal bones, and parotid glands.		01.9410
Candida Infection
[description not available]		02.3520
Mouth Diseases
Diseases involving the MOUTH.		02.6330
Candidiasis
Infection with a fungus of the genus CANDIDA. It is usually a superficial infection of the moist areas of the body and is generally caused by CANDIDA ALBICANS. (Dorland, 27th ed)		02.3520
Brain Disorders
[description not available]		02.6330
Brain Diseases
Pathologic conditions affecting the BRAIN, which is composed of the intracranial components of the CENTRAL NERVOUS SYSTEM. This includes (but is not limited to) the CEREBRAL CORTEX; intracranial white matter; BASAL GANGLIA; THALAMUS; HYPOTHALAMUS; BRAIN STEM; and CEREBELLUM.		02.6330
Carcinoma 256, Walker
A transplantable carcinoma of the rat that originally appeared spontaneously in the mammary gland of a pregnant albino rat, and which now resembles a carcinoma in young transplants and a sarcoma in older transplants. (Stedman, 25th ed)		01.9410
Diseases in Twins
Disorders affecting TWINS, one or both, at any age.		02.3520
Adult Fanconi Syndrome
[description not available]		02.6430
Ankylosing Spondylarthritis
[description not available]		03.2620
Spider Veins
[description not available]		02.3520
Spondylitis, Ankylosing
A chronic inflammatory condition affecting the axial joints, such as the SACROILIAC JOINT and other intervertebral or costovertebral joints. It occurs predominantly in young males and is characterized by pain and stiffness of joints (ANKYLOSIS) with inflammation at tendon insertions.		03.2620
Telangiectasis
Permanent dilation of preexisting blood vessels (CAPILLARIES; ARTERIOLES; VENULES) creating small focal red lesions, most commonly in the skin or mucous membranes. It is characterized by the prominence of skin blood vessels, such as vascular spiders.		02.3520
Chloasma
[description not available]		01.9410
Actinic Reticuloid Syndrome
[description not available]		02.3420
Melanosis
Disorders of increased melanin pigmentation that develop without preceding inflammatory disease.		01.9410
Lymph Node Metastasis
[description not available]		01.9410
Ataxia Telangiectasia Syndrome
[description not available]		02.3520
Ataxia Telangiectasia
An autosomal recessive inherited disorder characterized by choreoathetosis beginning in childhood, progressive CEREBELLAR ATAXIA; TELANGIECTASIS of CONJUNCTIVA and SKIN; DYSARTHRIA; B- and T-cell immunodeficiency, and RADIOSENSITIVITY to IONIZING RADIATION. Affected individuals are prone to recurrent sinobronchopulmonary infections, lymphoreticular neoplasms, and other malignancies. Serum ALPHA-FETOPROTEINS are usually elevated. (Menkes, Textbook of Child Neurology, 5th ed, p688) The gene for this disorder (ATM) encodes a cell cycle checkpoint protein kinase and has been mapped to chromosome 11 (11q22-q23).		02.3520
Addison's Anemia
[description not available]		02.8610
Hyperthyroid
[description not available]		02.8610
Hyperthyroidism
Hypersecretion of THYROID HORMONES from the THYROID GLAND. Elevated levels of thyroid hormones increase BASAL METABOLIC RATE.		02.8610
Fibromatosis
[description not available]		01.9410
Angioma, Sclerosing
[description not available]		01.9410
Fibroma
A benign tumor of fibrous or fully developed connective tissue.		01.9410
Histiocytoma, Benign Fibrous
A benign tumor composed, wholly or in part, of cells with the morphologic characteristics of HISTIOCYTES and with various fibroblastic components. Fibrous histiocytomas can occur anywhere in the body. When they occur in the skin, they are called dermatofibromas or sclerosing hemangiomas. (From DeVita Jr et al., Cancer: Principles & Practice of Oncology, 5th ed, p1747)		01.9410
Arteriosclerosis
Thickening and loss of elasticity of the walls of ARTERIES of all sizes. There are many forms classified by the types of lesions and arteries involved, such as ATHEROSCLEROSIS with fatty lesions in the ARTERIAL INTIMA of medium and large muscular arteries.		02.3520
Alcohol Abuse
[description not available]		02.3520
Alcoholism
A primary, chronic disease with genetic, psychosocial, and environmental factors influencing its development and manifestations. The disease is often progressive and fatal. It is characterized by impaired control over drinking, preoccupation with the drug alcohol, use of alcohol despite adverse consequences, and distortions in thinking, most notably denial. Each of these symptoms may be continuous or periodic. (Morse & Flavin for the Joint Commission of the National Council on Alcoholism and Drug Dependence and the American Society of Addiction Medicine to Study the Definition and Criteria for the Diagnosis of Alcoholism: in JAMA 1992;268:1012-4)		02.3520
Behavior Disorders
[description not available]		01.9510
Mental Disorders
Psychiatric illness or diseases manifested by breakdowns in the adaptational process expressed primarily as abnormalities of thought, feeling, and behavior producing either distress or impairment of function.		01.9510
Allergic Encephalomyelitis
[description not available]		01.9410
Organophosphorus Poisoning
[description not available]		02.8610
Organophosphate Poisoning
Poisoning due to exposure to ORGANOPHOSPHORUS COMPOUNDS, such as ORGANOPHOSPHATES; ORGANOTHIOPHOSPHATES; and ORGANOTHIOPHOSPHONATES.		02.8610
Brill-Symmers Disease
[description not available]		01.9510
Lymphoma, Follicular
Malignant lymphoma in which the lymphomatous cells are clustered into identifiable nodules within the LYMPH NODES. The nodules resemble to some extent the GERMINAL CENTER of lymph node follicles and most likely represent neoplastic proliferation of lymph node-derived follicular center B-LYMPHOCYTES.		01.9510
Cancer of Nose
[description not available]		02.8610
Endotoxin Shock
[description not available]		01.9510
Shock, Septic
Sepsis associated with HYPOTENSION or hypoperfusion despite adequate fluid resuscitation. Perfusion abnormalities may include but are not limited to LACTIC ACIDOSIS; OLIGURIA; or acute alteration in mental status.		01.9510
Abnormalities, Multiple
Congenital abnormalities that affect more than one organ or body structure.		01.9510
Abnormalities, Sex Chromosome
[description not available]		01.9510
Adenitis
[description not available]		01.9510
Genito-urinary Cancer
[description not available]		01.9510
Urogenital Neoplasms
Tumors or cancer of the UROGENITAL SYSTEM in either the male or the female.		01.9510
Deficiency, Thiamine
[description not available]		02.8510
Deficiency, Vitamin B 12
[description not available]		02.8510
Thiamine Deficiency
A nutritional condition produced by a deficiency of THIAMINE in the diet, characterized by anorexia, irritability, and weight loss. Later, patients experience weakness, peripheral neuropathy, headache, and tachycardia. In addition to being caused by a poor diet, thiamine deficiency in the United States most commonly occurs as a result of alcoholism, since ethanol interferes with thiamine absorption. In countries relying on polished rice as a dietary staple, BERIBERI prevalence is very high. (From Cecil Textbook of Medicine, 19th ed, p1171)		02.8510
Vitamin B 12 Deficiency
A nutritional condition produced by a deficiency of VITAMIN B 12 in the diet, characterized by megaloblastic anemia. Since vitamin B 12 is not present in plants, humans have obtained their supply from animal products, from multivitamin supplements in the form of pills, and as additives to food preparations. A wide variety of neuropsychiatric abnormalities is also seen in vitamin B 12 deficiency and appears to be due to an undefined defect involving myelin synthesis. (From Cecil Textbook of Medicine, 19th ed, p848)		02.8510
Cataract, Membranous
[description not available]		01.9410
Cataract
Partial or complete opacity on or in the lens or capsule of one or both eyes, impairing vision or causing blindness. The many kinds of cataract are classified by their morphology (size, shape, location) or etiology (cause and time of occurrence). (Dorland, 27th ed)		01.9410
Cancer of Spleen
[description not available]		01.9410
Ptosis, Eyelid
[description not available]		01.9410
Pink Eye
[description not available]		01.9410
Blepharoptosis
Drooping of the upper lid due to deficient development or paralysis of the levator palpebrae muscle.		01.9410
Conjunctivitis
INFLAMMATION of the CONJUNCTIVA.		01.9410
Manganese Poisoning
Manganese poisoning is associated with chronic inhalation of manganese particles by individuals who work with manganese ore. Clinical features include CONFUSION; HALLUCINATIONS; and an extrapyramidal syndrome (PARKINSON DISEASE, SECONDARY) that includes rigidity; DYSTONIA; retropulsion; and TREMOR. (Adams, Principles of Neurology, 6th ed, p1213)		01.9410
Poisoning, Fluoride
[description not available]		02.8640
Meniscitis
[description not available]		01.9410
Fluoride Poisoning
Poisoning that results from chronic or acute ingestion, injection, inhalation, or skin absorption of FLUORIDE compounds.		02.8640
Acquired Autoimmune Hemolytic Anemia
[description not available]		02.8610
Anemia, Hemolytic, Autoimmune
Acquired hemolytic anemia due to the presence of AUTOANTIBODIES which agglutinate or lyse the patient's own RED BLOOD CELLS.		02.8610
Hemorrhoids
Swollen veins in the lower part of the RECTUM or ANUS. Hemorrhoids can be inside the anus (internal), under the skin around the anus (external), or protruding from inside to outside of the anus. People with hemorrhoids may or may not exhibit symptoms which include bleeding, itching, and pain.		01.9410
Malabsorption Syndromes
General term for a group of MALNUTRITION syndromes caused by failure of normal INTESTINAL ABSORPTION of nutrients.		01.9410
Carcinoma, Thymic
[description not available]		01.9410
Thymoma
A neoplasm originating from thymic tissue, usually benign, and frequently encapsulated. Although it is occasionally invasive, metastases are extremely rare. It consists of any type of thymic epithelial cell as well as lymphocytes that are usually abundant. Malignant lymphomas that involve the thymus, e.g., lymphosarcoma, Hodgkin's disease (previously termed granulomatous thymoma), should not be regarded as thymoma. (From Stedman, 25th ed)		01.9410
Bilirubinemia
[description not available]		01.9410
Sarcoma 180
An experimental sarcoma of mice.		01.9410
Anuria
Absence of urine formation. It is usually associated with complete bilateral ureteral (URETER) obstruction, complete lower urinary tract obstruction, or unilateral ureteral obstruction when a solitary kidney is present.		01.9410
Mushroom Poisoning
Poisoning from ingestion of mushrooms, primarily from, but not restricted to, toxic varieties.		01.9410
Leukokeratosis
Leukoplakic lesions related to abnormal keratin fiber formation.		01.9410
Leukoplakia
A white patch lesion found on a MUCOUS MEMBRANE that cannot be scraped off. Leukoplakia is generally considered a precancerous condition, however its appearance may also result from a variety of HEREDITARY DISEASES.		01.9410
Elliptocytosis, Hereditary
An intrinsic defect of erythrocytes inherited as an autosomal dominant trait. The erythrocytes assume an oval or elliptical shape.		01.9410
Ovoid Neutrophil Nuclei, Developmental Delay, Epilepsy and Skeletal Abnormalities
[description not available]		01.9410
Appetite Disorders
[description not available]		01.9410
Pallor
A clinical manifestation consisting of an unnatural paleness of the skin.		01.9410
Feeding and Eating Disorders
A group of disorders characterized by physiological and psychological disturbances in appetite or food intake.		01.9410
Hemorrhage, Oral
[description not available]		01.9410
Embryopathies
[description not available]		02.3520
Edema, Pulmonary
[description not available]		01.9410
Pulmonary Edema
Excessive accumulation of extravascular fluid in the lung, an indication of a serious underlying disease or disorder. Pulmonary edema prevents efficient PULMONARY GAS EXCHANGE in the PULMONARY ALVEOLI, and can be life-threatening.		01.9410
Hydrosyringomyelia
[description not available]		01.9410
Congenital Micrognathia
[description not available]		01.9410
Androgenization
[description not available]		01.9410
Glaucoma
An ocular disease, occurring in many forms, having as its primary characteristics an unstable or a sustained increase in the intraocular pressure which the eye cannot withstand without damage to its structure or impairment of its function. The consequences of the increased pressure may be manifested in a variety of symptoms, depending upon type and severity, such as excavation of the optic disk, hardness of the eyeball, corneal anesthesia, reduced visual acuity, seeing of colored halos around lights, disturbed dark adaptation, visual field defects, and headaches. (Dictionary of Visual Science, 4th ed)		06.9410
Colonic Diseases
Pathological processes in the COLON region of the large intestine (INTESTINE, LARGE).		01.9410
Polyneuropathy, Acquired
[description not available]		01.9410
Polyneuropathies
Diseases of multiple peripheral nerves simultaneously. Polyneuropathies usually are characterized by symmetrical, bilateral distal motor and sensory impairment with a graded increase in severity distally. The pathological processes affecting peripheral nerves include degeneration of the axon, myelin or both. The various forms of polyneuropathy are categorized by the type of nerve affected (e.g., sensory, motor, or autonomic), by the distribution of nerve injury (e.g., distal vs. proximal), by nerve component primarily affected (e.g., demyelinating vs. axonal), by etiology, or by pattern of inheritance.		01.9410
Uremia
A clinical syndrome associated with the retention of renal waste products or uremic toxins in the blood. It is usually the result of RENAL INSUFFICIENCY. Most uremic toxins are end products of protein or nitrogen CATABOLISM, such as UREA or CREATININE. Severe uremia can lead to multiple organ dysfunctions with a constellation of symptoms.		01.9410
Central Hypothyroidism
[description not available]		01.9410
Hypothyroidism
A syndrome that results from abnormally low secretion of THYROID HORMONES from the THYROID GLAND, leading to a decrease in BASAL METABOLIC RATE. In its most severe form, there is accumulation of MUCOPOLYSACCHARIDES in the SKIN and EDEMA, known as MYXEDEMA. It may be primary or secondary due to other pituitary disease, or hypothalamic dysfunction.		01.9410
Clonorchiasis
Infection of the biliary passages with CLONORCHIS SINENSIS, also called Opisthorchis sinensis. It may lead to inflammation of the biliary tract, proliferation of biliary epithelium, progressive portal fibrosis, and sometimes bile duct carcinoma. Extension to the liver may lead to fatty changes and cirrhosis. (From Dorland, 27th ed)		01.9410
Neoplasms, Bronchial
[description not available]		01.9410
Bronchial Neoplasms
Tumors or cancer of the BRONCHI.		01.9410