Compounds > methyl bromide
Page last updated: 2024-11-05

methyl bromide

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Description

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 [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

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. [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]

Cross-References

ID SourceID
PubMed CID6323
CHEMBL ID48339
CHEBI ID39275
MeSH IDM0046604

Synonyms (127)

Synonym
bromo-methane
bercema
RFDFIF@ ,
bromomethane
inchi=1/ch3br/c1-2/h1h
methane, bromo-
74-83-9
einecs 200-813-2
m-b-r 98
detia gas ex-m
r 40b1
drexel plant bed gas
dowfume mc-2 fumigant
profume (obs.)
superior methyl bromide-2
hsdb 779
ccris 385
bromometano [italian]
methyl bromide [bsi:iso]
brom-o-gas methyl bromide soil fumigant
methyl bromide rodent fumigant (with chloropicrin)
brom-o-sol
bromuro di metile [italian]
metafume
bromure de methyle [iso-french]
profume
dowfume
un 1062
un1062
brom-o-gaz
meth-o-gas
pestmaster soil fumigant-1
terr-o-cide ii
m-b-c fumigant
iscobrome
mbc soil fumigant
metylu bromek [polish]
halon 1001
brom-o-gas
meb r
methyl fume
broommethaan [dutch]
methylbromid [german]
terr-o-gas 100
methyl bromide [un1062] [poison gas]
curafume
kayafume
caswell no. 555
haltox
fumigant-1 (obs.)
dowfume mc-2
terr-o-gas 67
brom-methan [german]
edco
dowfume mc-33
dawson 100
celfume
dowfume mc-2r
pestmaster (obs.)
mbc-33 soil fumigant
pestmaster
methogas
dowfume mc-2 soil fumigant
terabol
methyl bromide as a structural fumigant
rcra waste no. u029
MBX ,
rcra waste number u029
bromure de methyle [french]
zytox
f 40b1
bromur di metile [italian]
ai3-01916
terr-o-gas
tri-brom
epa pesticide chemical code 053201
bromomethane, >=99%
mebr
ch3br
methyl bromide
methylbromid
monobromomethane
monobrommethan
embafume
brommethan
CHEBI:39275 ,
BMM ,
methylbromide
methyl bromide, 14c-labeled
B3122
b1618 ,
CHEMBL48339
monobrommethane
bromanylmethane
A838236
C18447
B3121
STL282739
broommethaan
metylu bromek
bromur di metile
ec 200-813-2
brom-methan
methyl bromide [un1062] [poison gas]
unii-9v42e1z7b6
9v42e1z7b6 ,
bromometano
bromure de methyle
bromuro di metile
FT-0628706
AKOS015915144
methyl bromide [mi]
methylbromide [who-dd]
methyl bromide [iso]
methyl bromide [iarc]
methyl bromide [hsdb]
carbon-bromine
fumigant-1
methybrom
DTXSID8020832
mfcd00000166
bromomethane, purum, ampule, >=99.5% (gc)
merth-o-gas
dow fume mc2
methyl bromide, bsi, iso, jmaf
Q421758
bromomethane (methyl bromide) 100 microg/ml in methanol

Research Excerpts

Overview

Methyl bromide (MB) is a fumigant widely used for killing pests on plants in trade, soils, and structures worldwide. MB should be replaced because it is an ozone-depleting substance.

ExcerptReferenceRelevance
"Methyl bromide is a pre-plant soil fumigant that is widely used to control nematodes, insects, and fungi in farmlands. "( Severe methyl bromide poisoning causing early acute renal failure and anuria: a case report.
Jian, X; Kan, B; Li, Y; Shi, L; Wang, W; Wen, Z; Yu, G; Zhao, L, 2022)		2.62
"Methyl bromide is an odourless, colourless, highly volatile gas, primarily used in fumigation. "( Chronic methyl bromide toxicity is ameliorated by haemodialysis.
Chiew, AL; Endre, ZH; Hepburn, KS; Khor, NWM; Lee, ATK; Micallef, M; Somerville, E, 2020)		2.44
"Methyl bromide (MB) is a fumigant that has been widely used for killing pests on plants in trade, soils, and structures worldwide due to its excellent permeability and insecticidal effect; however, MB should be replaced because it is an ozone-depleting substance. "( Negative effect of methyl bromide fumigation work on the central nervous system.
Cha, W; Choi, J; Hong, YS; Kim, BG; Lee, SY; Lim, E; Lim, HJ; Mo, HH; Park, CG; Park, MG, 2020)		2.33
"Methyl bromide (MB) is a highly toxic and ozone-depleting substance and should be replaced. "( Variations in methyl bromide concentration with distance and time during quarantine fumigation.
Gu, DC; Hong, YS; Mo, HH; Park, CG; Park, MG, 2021)		2.42
"Methyl bromide is a halogenated aliphatic hydrocarbon that exists as a colorless gas or a volatile liquid. "( Cases from NACCT acute and intensive care symposium: altered mental status, seizures, and rash in a fumigation company employee.
Cumpston, KL; Stromberg, PE, 2013)		1.83
"Methyl bromide (MeBr) is a chemically reactive compound that has found use as a fire retardant and fumigant used for wood, soil, fruits and grains. "( The toxic chemistry of methyl bromide.
Bulathsinghala, AT; Shaw, IC, 2014)		2.16
"Methyl bromide is an important atmospheric trace gas, which plays significant roles in the global warming and atmospheric chemistry. "( [Research advances in methyl bromide in the ocean].
Chen, JL; Cui, YQ; Du, HN; Xie, WX; Ye, SY, 2014)		2.16
"Methyl bromide is a pesticide that has been banned in the United States for use in homes and other residential settings."( Severe Illness from Methyl Bromide Exposure at a Condominium Resort--U.S. Virgin Islands, March 2015.
Cseh, LF; Duncan, MA; Ellis, EM; Graziano, LT; Hunte-Ceasar, TC; Kulkarni, PA; Orr, MF; Risher, JF; Vaouli, E; Watters, MT, 2015)		1.46
"Methyl bromide is a highly toxic gas with poor olfactory warning properties. "( Neurological manifestation of methyl bromide intoxication.
Phanthumchinda, K; Suwanlaong, K, 2008)		2.08
"Methyl bromide is a toxic substance that has hazardous effects on human health with acute and chronic exposure. "( Health profiles of methyl bromide applicators in greenhouses in Turkey.
Akca, ET; Ayşe, G; Banu, O; Canan, C; Hakan, B; Hulya, G; Ozgur, K; Ozlem, E; Serpil, S; Sezer, U, 2009)		2.12
"Methyl bromide is an effective pre-plant soil fumigant used to control nematodes in many high-input, high-value crops in the United States, including vegetables, nursery plants, ornamentals, tree fruits, strawberries, and grapes. "( Managing nematodes without methyl bromide.
Halbrendt, JM; Kokalis-Burelle, N; LaMondia, J; McKenry, MV; Noling, JW; Zasada, IA, 2010)		2.1
"Methyl bromide (MeBr) is a toxic gas used to fumigate agricultural fields and some produce. "( Illness associated with exposure to methyl bromide-fumigated produce--California, 2010.
, 2011)		2.09
"Methyl bromide is a genotoxic soil fumigant with high acute toxicity, but unknown human carcinogenicity. "( Methyl bromide exposure and cancer risk in the Agricultural Health Study.
Alavanja, MC; Barone-Adesi, F; Barry, KH; Beane Freeman, LE; Coble, JB; Hoppin, JA; Koutros, S; Lubin, JH; Ma, X; Sandler, DP; Zheng, T, 2012)		3.26
"Methyl bromide is a widely used fumigant for both pre-plant and post-harvest pest and pathogen control. "( United States Department of Agriculture-Agricultural Research Service research on alternatives to methyl bromide: pre-plant and post-harvest.
Bull, CT; Chellemi, DO; Leesch, JG; Mazzola, M; Rosskopf, EN; Schneider, SM, )		1.79
"Methyl bromide is a pesticide used as a fumigating agent in homes, for food storage and soil disinfection. "( [Peripheral neuropathy induced by acute methyl bromide skin exposure: a case report].
Ben Amou, S; Ben Slamia, L; Dogui, M; Harzallah, S; Lamouchi, T; Sakli, G, 2006)		2.04
"Methyl bromide (CH3Br) is a candidate for disinfection/deactivation of biological agents in buildings."( Methyl bromide as a building disinfectant: interaction with indoor materials and resulting byproduct formation.
Corsi, RL; Hubbard, HF; Liljestrand, HM; Poppendieck, DG; Walker, MB, 2007)		2.5
"Methyl bromide (MB) is a pesticide used primarily as a fumigating agent for homes, storage vehicles and soil. "( Neuropsychological sequelae of methyl bromide: a case study.
Bolter, JF; Cone, JE; Reidy, TJ, 1994)		2.02
"Methyl bromide (MeBr) is a methylating agent, weak mutagen and possible animal carcinogen. "( Monitoring for DNA damage of humans occupationally exposed to methyl bromide.
Baan, RA; Katsouyanni, K; Kyrtopoulos, SA; Pletsa, V; Steenwinkel, MJ; Stoikidou, M; van Delft, JH, )		1.81
"Methyl bromide is a nearly odorless, volatile hydrocarbon used as a fumigant in the food industry."( A case of fatal methyl bromide poisoning.
Fuortes, LJ, 1992)		1.35
"Methyl bromide is a highly toxic and penetrating compound used extensively as an insecticide for dry foodstuffs and as a soil fumigant (in greenhouses and fields) for the control of nematodes, fungi, and weeds. "( Methyl bromide intoxication in four field-workers during removal of soil fumigation sheets.
Cullen, MR; Herzstein, J, 1990)		3.16
"Methyl bromide was found to be a negative inducer of small (1-2 cells) single spots at all concentrations except 16 mg/l where a positive effect was observed."( Inhalation of methyl bromide gas induces mitotic recombination in somatic cells of Drosophila melanogaster.
Katz, AJ, 1987)		1.35
"Methyl bromide is a widely used soil fumigant and poses potential inhalation hazard to workers. "( Uptake and excretion of [14C]methyl bromide as influenced by exposure concentration.
Birnbaum, LS; Bond, JA; Cheng, YS; Dutcher, JS; Henderson, RF; Mauderly, JL; Medinsky, MA; Mewhinney, JA; Snipes, MB, 1985)		2

Effects

Methyl bromide has been widely used in Japan to fumigate grains and wood. It is the only available fumigant that is effective at controlling ham mite infestations.

ExcerptReferenceRelevance
"Methyl bromide has been used to fumigate dry cured ham plants and is the only available fumigant that is effective at controlling ham mite infestations."( Phosphine fumigation and residues in dry-cured ham in commercial applications.
Abbar, S; Phillips, TW; Schilling, MW; Zhao, Y, 2015)		1.14
"Methyl bromide (MB) has been the most widely used chemical for the fumigation of soil, commodities, buildings and furniture for over seventy years. "( Life without methyl bromide: the Italian experience in replacing the fumigant.
Clini, C; Garibaldi, A; Gullino, ML, 2005)		2.14
"Methyl bromide has been responsible for deaths that usually occur from its accidental inhalation during fumigation."( An unusual exposure to methyl bromide leading to fatality.
Albertson, TE; Horowitz, BZ; O'Malley, M; Swenson, EJ, 1998)		2.05
"Methyl bromide has been widely used in Japan to fumigate grains and wood. "( [Cases of severe methyl bromide poisoning residing above a warehouse].
Ishizu, S; Ito, I; Kato, N; Morinobu, S; Nagao, N; Yamano, Y, 1988)		2.06

Treatment

Methyl bromide and heat treatments did greatly reduce spore viability in the boards, but did not reduce chalkbrood levels in the field. The yield of the fourth crop was significantly greater.

ExcerptReferenceRelevance
"The methyl bromide treatment significantly reduced root galling and egg production compared to other treatments in all crop cycles and the yield of the fourth crop was significantly greater."( Investigation of alternatives to methyl bromide for management of Meloidogyne javanica on greenhouse grown tomato.
Petsas, SE; Tzortzakakis, EA, 2003)		1.08
"Methyl bromide and heat treatments did greatly reduce spore viability in the boards, but did not reduce chalkbrood levels in the field."( Impact of disinfecting nesting boards on chalkbrood control in the alfalfa leafcutting bee.
James, RR, 2005)		1.05

Toxicity

Methyl bromide was found to have no immediate toxic effects on hippocampal rat neurons. In rats fed the diets fumigated with methyl bromides there were no marked toxic changes. tumour incidence was unaffected.

ExcerptReferenceRelevance
" In rats fed the diets fumigated with methyl bromide there were no marked toxic changes, except for a slight depression of body-weight gain from wk 60 onwards in males of the 500-ppm group, and tumour incidence was unaffected."( Two-year oral chronic toxicity and carcinogenicity study in rats of diets fumigated with methyl bromide.
Kosaka, T; Maita, K; Mitsumori, K; Miyaoka, T; Shirasu, Y, 1990)		0.77
" We applaud the EPA's decision to ban the use of 80/20 fumigants and also methyl bromide, and trust that similar toxic substances be carefully studied before their selection for replacing these previous toxic agents."( Synergistic neurotoxicity of carbon tetrachloride/carbon disulfide (80/20 fumigants) and other pesticides in grain storage workers.
Chapman, L; Levine, RL; Matthews, CG; Peters, HA; Sauter, S, 1986)		0.5
" Acute toxic action was induced by methyl bromide itself and its cytotoxicity was reduced in the presence of glutathione."( Cytotoxicity of methyl bromide: effect of methyl bromide on cultured mammalian cells.
Ishizu, S; Nishimura, M; Sato, M; Umeda, M, 1980)		0.88
" The risk for chronic exposure or persistent toxic effects may be masked by the severity of the acute toxic effects."( Central and peripheral neurotoxic effects of chronic methyl bromide intoxication.
De Haro, L; Gastaut, JL; Jouglard, J; Renacco, E, 1997)		0.55
" Since methyl bromide did not induce electrophysiologic changes consistent with evidence of neurotoxicity during one hour of observation it is concluded that it lacks immediate toxic effects on hippocampal rat neurons."( Methyl bromide decreases excitability without having immediate toxic effects in rat hippocampal CA1 neurons in vitro.
Aranda, M; Espinoza, J; Jofré, D; Morales, P; Nalli, A; Zeise, ML, 1999)		2.2
" The lowest observed adverse effect level and the no observed adverse effect level of 1-BP inhalation for disinhibition were 400 and 200 ppm, respectively."( New approach to risk assessment of central neurotoxicity induced by 1-bromopropane using animal models.
Fueta, Y; Hori, H; Ishidao, T; Kunugita, N; Ueno, S; Yoshida, Y, 2007)		0.34
" We focused on toxic (especially chronic) or carcinogenic effects from the use of methyl bromide, on biomonitoring data and reference values."( Prostate cancer and toxicity from critical use exemptions of methyl bromide: environmental protection helps protect against human health risks.
Baur, X; Budnik, LT; Kloth, S; Velasco-Garrido, M, 2012)		0.85
" None of the epidemiological studies addressed its use as a fumigant in freight containers, although recent field and case reports do refer to its toxic effects associated with its use in shipping and storage."( Prostate cancer and toxicity from critical use exemptions of methyl bromide: environmental protection helps protect against human health risks.
Baur, X; Budnik, LT; Kloth, S; Velasco-Garrido, M, 2012)		0.62

Bioavailability

ExcerptReferenceRelevance
" A bioavailability study of 14C-bound residues showed that over 70% of the ingested dose was bioavailable to the rat."( Bioavailability to rats and toxicity of bound residues in bean seeds fumigated with 14C-methyl bromide.
Hazzaa, NI; Hegazi, B; Mostafa, IY; Zayed, SM, 1992)		0.51

Dosage Studied

The objectives of this study were to determine the LC50 of methyl bromide (MeBr) and the dose-response curve. The detoxication effect of reduced glutathione (GSH) on MeBr poisoning in mice was also studied.

ExcerptRelevanceReference
"The objectives of this study were to determine the LC50 of methyl bromide (MeBr) and the dose-response curve and to study the detoxication effect of reduced glutathione (GSH) on MeBr poisoning in mice."( [Experimental study on methyl bromide poisoning in mice. Acute inhalation study and the effect of glutathione as an antidote].
Yamano, Y, 1991)		0.84
" We review here methods used in studies of occupational pesticide exposure, with particular attention to validation in terms of dose-response relationships, to technical complexity and cost, to the requirements for analytical quality control, and to the utility of these methods for field research purposes."( Biological monitoring of agricultural workers exposed to pesticides: II. Monitoring of intact pesticides and their metabolites.
Coye, MJ; Lowe, JA; Maddy, KJ, 1986)		0.27
" The dose-response curve was quite steep and the LC10 to LC90 range of mortality was contained within a doubling of concentration."( Determination of acute toxic effects in mice following exposure to methyl bromide.
Alexeeff, GV; Kilgore, WW; Muñoz, P; Watt, D, 1985)		0.51
" On average over a year, about 14% of the dosage of methyl bromide applied for soil fumigation was converted to bromide ion."( Bromide-ion balance of a polder district with large-scale use of methyl bromide for soil fumigation.
de Heer, H; Hamaker, P; Wegman, RC, 1983)		0.75
" Compared with controls, food consumption was significantly lower in F1 parental females of the 500-ppm group during the second half of the dosing period, and F2 female pups of the 500-ppm group showed lower body weights throughout the lactation period."( A two-generation reproduction study in rats with methyl bromide-fumigated diets.
Hatakenaka, N; Kaneda, M; Maita, K; Teramoto, S, 1993)		0.54
" In these groups, maternal body weight gains and food consumption were significantly decreased during the dosing and post-dosing periods."( Oral teratogenicity studies of methyl bromide in rats and rabbits.
Hojo, H; Kaneda, M; Maita, K; Teramoto, S, 1998)		0.59
" Dose-response tests indicated that the egg was the most susceptible life stage with an LC99 of 20."( Susceptibility of Maconellicoccus hirsutus (Homoptera: Pseudococcidae) to methyl bromide.
Follett, PA; Gill, RF; Zettler, JL, 2002)		0.55
" Methyl bromide showed better penetration, but was not sufficiently toxic at practical dosage levels."( Fumigation of jute bags with ethylene oxide and methyl bromide to eradicate potato ring rot bacteria.
MONRO, HA; RICHARDSON, LT, 1962)		1.41
" Dose-response tests indicated that the most radiotolerant stage occurring in roots was the pupa of sweetpotato vine borer, Omphisa anastomosalis (Guenee), and the adult of West Indian sweetpotato weevil, Euscepes postfasciatus (Fairmaire), and sweetpotato weevil, Cylas formicarius elegantulus (Summers)."( Irradiation as a methyl bromide alternative for postharvest control of Omphisa anastomosalis (Lepidoptera: Pyralidae) and Euscepes postfasciatus and Cylas formicarius elegantulus (Coleoptera: Curculionidae) in sweet potatoes.
Follett, PA, 2006)		0.67
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Roles (3)

RoleDescription
fumigant insecticidenull
marine metaboliteAny metabolite produced during a metabolic reaction in marine macro- and microorganisms.
algal metaboliteAny eukaryotic metabolite produced during a metabolic reaction in algae including unicellular organisms like chlorella and diatoms to multicellular organisms like giant kelps and brown algae.
[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
methyl halidesA haloalkane that is methane in which one of the hydrogens is substituted by a halide atom.
bromomethanesA halomethane that is methane in which one or more hydrogens has been replaced by bromine.
bromohydrocarbonA compound derived from a hydrocarbon by replacing a hydrogen atom with a bromine atom.
[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 (7)

PathwayProteinsCompounds
Glutathione Metabolism1121
Glutathione Synthetase Deficiency1121
5-Oxoprolinuria1121
gamma-Glutamyltransferase Deficiency1121
5-Oxoprolinase Deficiency1121
gamma-Glutamyltranspeptidase Deficiency1121
methylhalides biosynthesis (plants)28

Bioassays (7)

Assay IDTitleYearJournalArticle
AID1111618Insecticidal activity against adult Sitophilus zeamais assessed as mortality after 24 hr by fumigation assay2011Pest management science, Jun, Volume: 67, Issue:6
Composition of essential oil of Chinese Chenopodium ambrosioides and insecticidal activity against maize weevil, Sitophilus zeamais.
AID23443Partition coefficient (logP)1985Journal of medicinal chemistry, Mar, Volume: 28, Issue:3
Use of physicochemical parameters in distance geometry and related three-dimensional quantitative structure-activity relationships: a demonstration using Escherichia coli dihydrofolate reductase inhibitors.
AID1101106Insecticidal activity mites on flower bulbs2000Journal of agricultural and food chemistry, Sep, Volume: 48, Issue:9
Volatile aldehydes are promising broad-spectrum postharvest insecticides.
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.
AID1101108Insecticidal activity Myzus persicae (green peach aphid) on flower bulbs2000Journal of agricultural and food chemistry, Sep, Volume: 48, Issue:9
Volatile aldehydes are promising broad-spectrum postharvest insecticides.
AID1101107Insecticidal activity against Frankliniella occidentalis (western flower thrips) larva and adults2000Journal of agricultural and food chemistry, Sep, Volume: 48, Issue:9
Volatile aldehydes are promising broad-spectrum postharvest insecticides.
AID1101109Insecticidal activity Thysanoptera (thrips) on flower bulbs2000Journal of agricultural and food chemistry, Sep, Volume: 48, Issue:9
Volatile aldehydes are promising broad-spectrum postharvest insecticides.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (484)

TimeframeStudies, This Drug (%)All Drugs %
pre-1990170 (35.12)18.7374
1990's88 (18.18)18.2507
2000's127 (26.24)29.6817
2010's79 (16.32)24.3611
2020's20 (4.13)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 75.12

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 Index75.12 (24.57)
Research Supply Index6.30 (2.92)
Research Growth Index4.41 (4.65)
Search Engine Demand Index133.81 (26.88)
Search Engine Supply Index2.02 (0.95)

This Compound (75.12)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials1 (0.18%)5.53%
Reviews34 (6.26%)6.00%
Case Studies55 (10.13%)4.05%
Observational0 (0.00%)0.25%
Other453 (83.43%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
monoisopropanolamine
monoisopropanolamine: possible industrial pollutant; structure. 1-aminopropan-2-ol : Any amino alcohol that is propan-2-ol substituted by an amino group at position 1.		1.9610amino alcohol;
secondary alcohol		Escherichia coli metabolite
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.		3.8130chloroethaneshepatotoxic agent;
mutagen;
non-polar solvent
1,2,4-trichlorobenzene
1,2,4-trichlorobenzene : A trichlorobenzene with chloro substituents at positions 1, 2 and 4.		3.0710trichlorobenzene
5-hydroxytryptophan
5-Hydroxytryptophan: The immediate precursor in the biosynthesis of SEROTONIN from tryptophan. It is used as an antiepileptic and antidepressant.. 5-hydroxytryptophan : A tryptophan derivative that is tryptophan substituted by a hydroxy group at position 5.		1.9610hydroxytryptophanhuman metabolite;
neurotransmitter
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.		7.3520monocarboxylic acidantimicrobial food preservative;
Daphnia magna metabolite;
food acidity regulator;
protic solvent
acetone
methyl ketone : A ketone of formula RC(=O)CH3 (R =/= H).		3.4720ketone body;
methyl ketone;
propanones;
volatile organic compound		EC 3.5.1.4 (amidase) inhibitor;
human metabolite;
polar aprotic solvent
ammonium hydroxide
azane : Saturated acyclic nitrogen hydrides having the general formula NnHn+2.		2.9140azane;
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
benzene
[no description available]		3.0710aromatic annulene;
benzenes;
volatile organic compound		carcinogenic agent;
environmental contaminant;
non-polar solvent
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.		3.0710benzyl alcoholsantioxidant;
fragrance;
metabolite;
solvent
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)		5.34590halide anion;
monoatomic bromine
hydrobromic acid
Hydrobromic Acid: Hydrobromic acid (HBr). A solution of hydrogen bromide gas in water.. hydrobromide : Salts formally resulting from the reaction of hydrobromic acid with an organic base.. hydrogen bromide : A diatomic molecule containing covalently bonded hydrogen and bromine atoms.		1.9310gas molecular entity;
hydrogen halide;
mononuclear parent hydride		mouse metabolite
butyraldehyde
[no description available]		210butanalsbiomarker;
Escherichia coli metabolite;
mouse metabolite
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.		3.520alkyl alcohol;
primary alcohol;
short-chain primary fatty alcohol		human metabolite;
mouse metabolite;
protic solvent
carbamates
[no description available]		2.6930amino-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.		1.9910carbon 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.		1.9610monocarboxylic acidantibacterial agent;
astringent;
metabolite;
protic solvent;
solvent
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).		8.9130alkane;
gas molecular entity;
mononuclear parent hydride;
one-carbon compound		bacterial metabolite;
fossil fuel;
greenhouse gas
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.		2.0210chlorocarboxylic acid;
haloacetic acid		alkylating agent;
herbicide
chlorine
chloride : A halide anion formed when chlorine picks up an electron to form an an anion.		2.0610halide anion;
monoatomic chlorine		cofactor;
Escherichia coli metabolite;
human 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.		3.0710cresolhuman 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.		3.4720cresolhuman 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.		2.0410alkanexenobiotic
gallic acid
gallate : A trihydroxybenzoate that is the conjugate base of gallic acid.		2.2510trihydroxybenzoic 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.		3.1710gas molecular entity;
hydracid;
mononuclear parent hydride;
sulfur hydride		Escherichia coli metabolite;
genotoxin;
metabolite;
signalling molecule;
toxin;
vasodilator agent
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
3,4-dihydroxyphenylacetic acid
3,4-Dihydroxyphenylacetic Acid: A deaminated metabolite of LEVODOPA.. (3,4-dihydroxyphenyl)acetic acid : A dihydroxyphenylacetic acid having the two hydroxy substituents located at the 3- and 4-positions. It is a metabolite of dopamine.. dihydroxyphenylacetic acid : A dihydroxy monocarboxylic acid consisting of phenylacetic acid having two phenolic hydroxy substituents.		1.9810catechols;
dihydroxyphenylacetic acid		human metabolite
formaldehyde
paraform: polymerized formaldehyde; RN given refers to parent cpd; used in root canal therapy		4.3560aldehyde;
one-carbon compound		allergen;
carcinogenic agent;
disinfectant;
EC 3.5.1.4 (amidase) inhibitor;
environmental contaminant;
Escherichia coli metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
glycine
[no description available]		1.9510alpha-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
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		3.4920hydracid;
one-carbon compound		Escherichia coli metabolite;
human metabolite;
poison
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.		2.0810elemental hydrogen;
elemental molecule;
gas molecular entity		antioxidant;
electron donor;
food packaging gas;
fuel;
human 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..		210diatomic iodinenutrient
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.		9.3260alkyl alcohol;
one-carbon compound;
primary alcohol;
volatile organic compound		amphiprotic solvent;
Escherichia coli metabolite;
fuel;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite
naphthalene
[no description available]		3.5320naphthalenes;
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.		2.0310metal allergen;
nickel group element atom		epitope;
micronutrient
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.		3.0710octanol;
primary alcohol		antifungal agent;
bacterial metabolite;
fuel additive;
kairomone;
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.		3.07104-nitrophenolshuman xenobiotic metabolite;
mouse metabolite
phenanthrene
phenanthrene : A polycyclic aromatic hydrocarbon composed of three fused benzene rings which takes its name from the two terms 'phenyl' and 'anthracene.'		3.0710ortho-fused polycyclic arene;
ortho-fused tricyclic hydrocarbon;
phenanthrenes		environmental contaminant;
mouse metabolite
phenol
[no description available]		8.4920phenolsantiseptic drug;
disinfectant;
human xenobiotic metabolite;
mouse metabolite
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.		3.4920propan-1-ols;
short-chain primary fatty alcohol		metabolite;
protic solvent
pyridine
azine : An organonitrogen compound of general structure RCH=N-N=CHR or RR'C=N-N=CRR'.		3.4720azaarene;
mancude organic heteromonocyclic parent;
monocyclic heteroarene;
pyridines		environmental contaminant;
NMR chemical shift reference compound
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).		6.9310hydroxymethylpyridine;
methylpyridines;
monohydroxypyridine;
vitamin B6		cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae 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.		2.1510aliphatic 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.		3.8430divalent inorganic anion;
sulfur oxide;
sulfur oxoanion		human metabolite
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.		2.3620sulfur oxideEscherichia coli metabolite;
food bleaching agent;
refrigerant
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.		1.9310primary alcohol;
vitamin B1		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
2-mercaptoacetate
[no description available]		1.9610sulfur-containing carboxylic acid
toluene
methylbenzene : Any alkylbenzene that is benzene substituted with one or more methyl groups.		8.520methylbenzene;
toluenes;
volatile organic compound		cholinergic antagonist;
fuel additive;
neurotoxin;
non-polar solvent
urea
pseudourea: clinical use; structure. isourea : A carboximidic acid that is the imidic acid tautomer of urea, H2NC(=NH)OH, and its hydrocarbyl derivatives.		1.9610isourea;
monocarboxylic acid amide;
one-carbon compound		Daphnia magna metabolite;
Escherichia coli metabolite;
fertilizer;
flour treatment agent;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae 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.		1.9910chlorophenoxyacetic acid;
dichlorobenzene		agrochemical;
defoliant;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
environmental contaminant;
phenoxy herbicide;
synthetic auxin
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.		1.9810guaiacols;
monocarboxylic acid		human metabolite;
mouse metabolite
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.		1.9810indole-3-acetic acidsdrug metabolite;
human metabolite;
mouse metabolite
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.		210acridines;
aromatic amine		EC 3.1.1.7 (acetylcholinesterase) inhibitor
bromisovalum
Bromisovalum: A sedative and mild hypnotic with potentially toxic effects.. bromisoval : A racemate comprising equimolar amounts of (R)- and (S)-bromisoval. It was previously used for its hypnotic and sedative properties but the use of bromides is now deprecated due to the possibility of the toxic accumulation of bromine in the body.. 2-bromo-N-carbamoyl-3-methylbutanamide : An N-acylurea that is urea in which one of the hydrogens is replaced by a 2-bromo-3-methybutanoyl group.		2.0510N-acylurea;
organobromine compound
clonazepam
Clonazepam: An anticonvulsant used for several types of seizures, including myotonic or atonic seizures, photosensitive epilepsy, and absence seizures, although tolerance may develop. It is seldom effective in generalized tonic-clonic or partial seizures. The mechanism of action appears to involve the enhancement of GAMMA-AMINOBUTYRIC ACID receptor responses.. clonazepam : 1,3-Dihydro-2H-1,4-benzodiazepin-2-one in which the hydrogens at positions 5 and 7 are substituted by 2-chlorophenyl and nitro groups, respectively. It is used in the treatment of all types of epilepsy and seizures, as well as myoclonus and associated abnormal movements, and panic disorders. However, its use can be limited by the development of tolerance and by sedation.		2.4201,4-benzodiazepinone;
monochlorobenzenes		anticonvulsant;
anxiolytic drug;
GABA modulator
clonidine
Clonidine: An imidazoline sympatholytic agent that stimulates ALPHA-2 ADRENERGIC RECEPTORS and central IMIDAZOLINE RECEPTORS. It is commonly used in the management of HYPERTENSION.. clonidine (amino form) : A clonidine that is 4,5-dihydro-1H-imidazol-2-amine in which one of the amino hydrogens is replaced by a 2,6-dichlorophenyl group.		1.9810clonidine;
imidazoline
methylene bromide
methylene bromide: RN given refers to parent cpd. dibromomethane : A member of the class of bromomethanes that is methane substituted by two bromo groups. It is produced by marine algae.		2.4320bromohydrocarbon;
bromomethanes		algal metabolite;
marine metabolite
ddt
1,1-bis(p-chlorophenyl)-2,2,2-trichloroethane: structure in first source		8.4520benzenoid aromatic compound;
chlorophenylethane;
monochlorobenzenes;
organochlorine insecticide		bridged diphenyl acaricide;
carcinogenic agent;
endocrine disruptor;
persistent organic pollutant
donepezil
Donepezil: An indan and piperidine derivative that acts as a selective and reversible inhibitor of ACETYLCHOLINESTERASE. Donepezil is highly selective for the central nervous system and is used in the management of mild to moderate DEMENTIA in ALZHEIMER DISEASE.. donepezil : A racemate comprising equimolar amounts of (R)- and (S)-donepezil. A centrally acting reversible acetylcholinesterase inhibitor, its main therapeutic use is in the treatment of Alzheimer's disease where it is used to increase cortical acetylcholine.. 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindan-1-one : A member of the class of indanones that is 5,6-dimethoxyindan-1-one which is substituted at position 2 by an (N-benzylpiperidin-4-yl)methyl group.		210aromatic ether;
indanones;
piperidines;
racemate		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
nootropic agent
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.		3.4720ether;
volatile organic compound		inhalation anaesthetic;
non-polar solvent;
refrigerant
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.		2.4110chlorobenzoic acid;
furans;
sulfonamide		environmental contaminant;
loop diuretic;
xenobiotic
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.		2.0810carboxamidine;
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.		1.9810aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol		antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist
halothane
[no description available]		2.3720haloalkane;
organobromine compound;
organochlorine compound;
organofluorine compound		inhalation anaesthetic
hexachlorophene
Hexachlorophene: A chlorinated bisphenol antiseptic with a bacteriostatic action against Gram-positive organisms, but much less effective against Gram-negative organisms. It is mainly used in soaps and creams and is an ingredient of various preparations used for skin disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p797). hexachlorophene : An organochlorine compound that is diphenylmethane in which each of the phenyl groups is substituted by chlorines at positions 2, 3, and 5, and by a hydroxy group at position 6. An antiseptic that is effective against Gram-positive organisms, it is used in soaps and creams for the treatment of various skin disorders. It is also used in agriculture as an acaricide and fungicide, but is not approved for such use within the European Union.		2.0310bridged diphenyl fungicide;
polyphenol;
trichlorobenzene		acaricide;
antibacterial agent;
antifungal agrochemical;
antiseptic drug
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.		1.9610dibenzoazepineadrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
isoniazid
Hydra: A genus of freshwater polyps in the family Hydridae, order Hydroida, class HYDROZOA. They are of special interest because of their complex organization and because their adult organization corresponds roughly to the gastrula of higher animals.. hydrazide : Compounds derived from oxoacids RkE(=O)l(OH)m (l =/= 0) by replacing -OH by -NRNR2 (R groups are commonly H). (IUPAC).		1.9610carbohydrazideantitubercular agent;
drug allergen
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.		3.5320secondary alcohol;
secondary fatty alcohol		protic solvent
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.		1.9710diester;
ethyl ester;
organic thiophosphate
mepenzolate
mepenzolic acid: anticholinergic, antispasmodic agent; RN given refers to parent cpd; structure		1.9310diarylmethane
methantheline
Methantheline: A quaternary ammonium compound that acts as an antimuscarinic agent. It has been used in the treatment of PEPTIC ULCER, in gastrointestinal disorders associated with smooth muscle spasm, and in the management of urinary incontinence, and may also be used for the treatment of HYPERHIDROSIS.		1.9310xanthenes
neostigmine
Neostigmine: A cholinesterase inhibitor used in the treatment of myasthenia gravis and to reverse the effects of muscle relaxants such as gallamine and tubocurarine. Neostigmine, unlike PHYSOSTIGMINE, does not cross the blood-brain barrier.. neostigmine : A quaternary ammonium ion comprising an anilinium ion core having three methyl substituents on the aniline nitrogen, and a 3-[(dimethylcarbamoyl)oxy] substituent at position 3. It is a parasympathomimetic which acts as a reversible acetylcholinesterase inhibitor.		6.9210quaternary ammonium ionantidote to curare poisoning;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
pargyline
Pargyline: A monoamine oxidase inhibitor with antihypertensive properties.		3.8130aromatic amine
pipenzolate
pipenzolate: RN given refers to parent cpd; NM refers to bromide; structure		2.3420diarylmethane
pirenzepine
Pirenzepine: An antimuscarinic agent that inhibits gastric secretion at lower doses than are required to affect gastrointestinal motility, salivary, central nervous system, cardiovascular, ocular, and urinary function. It promotes the healing of duodenal ulcers and due to its cytoprotective action is beneficial in the prevention of duodenal ulcer recurrence. It also potentiates the effect of other antiulcer agents such as CIMETIDINE and RANITIDINE. It is generally well tolerated by patients.		210pyridobenzodiazepineanti-ulcer drug;
antispasmodic drug;
muscarinic antagonist
propantheline
Propantheline: A muscarinic antagonist used as an antispasmodic, in rhinitis, in urinary incontinence, and in the treatment of ulcers. At high doses it has nicotinic effects resulting in neuromuscular blocking.		1.9310xanthenes
saccharin
Saccharin: Flavoring agent and non-nutritive sweetener.. saccharin : A 1,2-benzisothiazole having a keto-group at the 3-position and two oxo substituents at the 1-position. It is used as an artificial sweetening agent.		1.96101,2-benzisothiazole;
N-sulfonylcarboxamide		environmental contaminant;
sweetening agent;
xenobiotic
trimethoprim
Trimethoprim: A pyrimidine inhibitor of dihydrofolate reductase, it is an antibacterial related to PYRIMETHAMINE. It is potentiated by SULFONAMIDES and the TRIMETHOPRIM, SULFAMETHOXAZOLE DRUG COMBINATION is the form most often used. It is sometimes used alone as an antimalarial. TRIMETHOPRIM RESISTANCE has been reported.. trimethoprim : An aminopyrimidine antibiotic whose structure consists of pyrimidine 2,4-diamine and 1,2,3-trimethoxybenzene moieties linked by a methylene bridge.		1.9610aminopyrimidine;
methoxybenzenes		antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic
urethane
[no description available]		2.3520carbamate esterfungal metabolite;
mutagen
thymidine
[no description available]		2.110pyrimidine 2'-deoxyribonucleosideEscherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite
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.		3.9740chlorocarbon;
chloromethanes		hepatotoxic agent;
refrigerant
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.		1.9510alanine zwitterion;
alanine;
L-alpha-amino acid;
proteinogenic amino acid;
pyruvate family amino acid		EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor;
fundamental metabolite
chloramphenicol
Amphenicol: Chloramphenicol and its derivatives.		210C-nitro compound;
carboxamide;
diol;
organochlorine compound		antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor
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.		2.4120amino 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
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.		210carbamate ester;
indole alkaloid		antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic
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.		2.3820aporphine alkaloidalpha-adrenergic drug;
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
emetic;
serotonergic drug
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.		1.9610tetrachlorophenolxenobiotic 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.		2.4220pyrimidine 2'-deoxyribonucleosideantimetabolite;
antineoplastic agent
levodopa
Levodopa: The naturally occurring form of DIHYDROXYPHENYLALANINE and the immediate precursor of DOPAMINE. Unlike dopamine itself, it can be taken orally and crosses the blood-brain barrier. It is rapidly taken up by dopaminergic neurons and converted to DOPAMINE. It is used for the treatment of PARKINSONIAN DISORDERS and is usually given with agents that inhibit its conversion to dopamine outside of the central nervous system.. L-dopa : An optically active form of dopa having L-configuration. Used to treat the stiffness, tremors, spasms, and poor muscle control of Parkinson's disease		1.9610amino acid zwitterion;
dopa;
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		allelochemical;
antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
hapten;
human metabolite;
mouse metabolite;
neurotoxin;
plant growth retardant;
plant metabolite;
prodrug
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.		1.9510amino 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
aniline
[no description available]		3.7630anilines;
primary arylamine
dimethylnitrosamine
Dimethylnitrosamine: A nitrosamine derivative with alkylating, carcinogenic, and mutagenic properties. It causes serious liver damage and is a hepatocarcinogen in rodents.		1.9610nitrosaminegeroprotector;
mutagen
n-hexanal
[no description available]		210medium-chain fatty aldehyde;
n-alkanal;
saturated fatty aldehyde		human urinary metabolite
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.		3.7830chloromethanes;
one-carbon compound		carcinogenic agent;
central nervous system drug;
inhalation anaesthetic;
non-polar solvent;
refrigerant
bromoacetate
[no description available]		1.9610
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.		3.5220formamides;
volatile organic compound		geroprotector;
hepatotoxic agent;
polar aprotic solvent
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.		3.4820pentanol;
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.		3.4720chloroethanespolar 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.		1.9510L-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
ethylene
Plastipore: high density polyethylene sponge biocompatible material; used as posts in dental bridges		2.3520alkene;
gas molecular entity		plant hormone;
refrigerant
acetylene
[no description available]		2.4220alkyne;
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.		7.06340chloromethanes;
methyl halides		marine metabolite;
mutagen;
refrigerant
methyl iodide
methyl iodide: RN given refers to unlabeled cpd with MF of CH3-I. iodomethane : A member of the class of iodomethanes that is methane in which one of the hydrogens is replaced by iodine.		6.2250iodomethanes;
methyl halides		fumigant insecticide
methylamine
methyl group : An alkyl group that is the univalent group derived from methane by removal of a hydrogen atom.		2.3820methylamines;
one-carbon compound;
primary aliphatic amine		mouse metabolite
methylacetylene
methylacetylene: structure		2.6930alkyne;
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.		440chloroethanesantipruritic 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.		2.0410chloroethenes;
gas molecular entity;
monohaloethene		carcinogenic agent
ethylamine
ethylamine : A two-carbon primary aliphatic amine.		1.9610primary 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.		3.7930aliphatic 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.		4.1850chloromethanes;
volatile organic compound		carcinogenic agent;
polar aprotic solvent;
refrigerant
difluoromethane
difluoromethane: structure given in first source		2.3920fluoromethanesrefrigerant
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.		7.9240one-carbon compound;
organosulfur compound
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.		4.5780gas molecular entity;
oxacycle;
saturated organic heteromonocyclic parent		allergen;
mouse metabolite;
mutagen
2-propylamine
2-propylamine: RN given refers to parent cpd		1.9610alkylamines;
primary aliphatic amine
1,1-dichloroethane
[no description available]		3.4720organochlorine compound
1,1-difluoroethane
[no description available]		1.9610
1,1-difluoroethylene
1,1-difluoroethylene: structure		1.9610olefinic compound;
organofluorine compound
dichlorofluoromethane
[no description available]		1.9610
fluorocarbon 22
[no description available]		2.6930hydrochlorofluorocarbon
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.		3.4720primary 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.		7.3920epoxide
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.		3.0710tertiary alcoholhuman xenobiotic metabolite
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.		3.0710aliphatic alcohol;
tertiary alcohol		protic solvent
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.		1.9610fluoroalcohol
chloropicrin
chloropicrin: major descriptor (66-85); on-line search HYDROCARBONS, CHLORINATED (66-85); Index Medicus search CHLOROPICRIN (66-85). chloropicrin : A C-nitro compound that is nitromethane in which all three hydrogens are replaced by chlorines. It is a severe irritant, and can cause immediate, severe inflammation of the eyes, nose and throat, and significant injuries to the upper and lower respiratory tract. Formerly stockpiled as a chemical warfare agent, it has been widely used in the US as a soil fumigant, particularly for strawberry crops. It is not approved for use within the European Union.		5.55130C-nitro compound;
one-carbon compound;
organochlorine compound		antifungal agrochemical;
fumigant insecticide;
nematicide
freon 114
Freon 114: InChIKey: DDMOUSALMHHKOS-UHFFFAOYSA-N		1.9610
perfluoroethane
[no description available]		1.9610fluoroalkane;
fluorocarbon		refrigerant
tri-o-cresyl phosphate
tri-o-cresyl phosphate: see also related IMOL S-140		3.110
isobutyl alcohol
isobutyl alcohol: RN given refers to parent cpd		3.0710alkyl alcohol;
primary alcohol		Saccharomyces cerevisiae metabolite
isobutyraldehyde
isobutyraldehyde : A member of the class of propanals that is propanal substituted by a methyl group at position 2.		2102-methyl-branched fatty aldehyde;
propanals		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.		3.0710secondary 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.		3.4720butanone;
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.		3.4720chloroethenesinhalation anaesthetic;
mouse metabolite
acrylamide
[no description available]		2.0310acrylamides;
N-acylammonia;
primary carboxamide		alkylating agent;
carcinogenic agent;
Maillard reaction product;
mutagen;
neurotoxin
n-methylacetamide
N-methylacetamide: RN given refers to parent cpd. N-methylacetamide : A monocarboxylic acid amide that is the N-methyl derivative of acetamide.		1.9610acetamides;
monocarboxylic acid amide		metabolite
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.		1.9610acetate 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.		1.9610primary 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.		3.0710chloroethanes
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.		2.2510enoate ester;
methyl ester		allergen;
polymerisation monomer
skatole
[no description available]		1.9810methylindolehuman metabolite;
mammalian metabolite
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.		3.0710trichlorobenzene
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
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.		3.0710monoterpenoid;
phenols		volatile oil component
quinoline
[no description available]		3.0710azaarene;
mancude organic heterobicyclic parent;
ortho-fused heteroarene;
quinolines
diphenyl
diphenyl: RN given refers to unlabeled cpd; structure		7.6330aromatic fungicide;
benzenes;
biphenyls		antifungal agrochemical;
antimicrobial food preservative
2-xylene
2-xylene: RN given refers to parent cpd. o-xylene : A xylene substituted by methyl groups at positions 1 and 2.		3.0710xylene
2-dichlorobenzene
2-dichlorobenzene: structure. 1,2-dichlorobenzene : A dichlorobenzene carrying chloro substituents at positions 1 and 2.		3.0710dichlorobenzenehepatotoxic agent;
metabolite
1,2,4,5-tetrachlorobenzene
1,2,4,5-tetrachlorobenzene : A tetrachlorobenzene carrying chloro groups at positions 1, 2, 4 and 5.		3.0710tetrachlorobenzene
2-methylbutanal
2-methylbutanal: structure in first source. 2-methylbutanal : A methylbutanal in which the methyl substituent is at position 2.		2102-methyl-branched fatty aldehyde;
methylbutanal		plant metabolite;
Saccharomyces cerevisiae metabolite;
volatile oil component
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
cyclopentanol
[no description available]		3.0710cyclopentanols
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
benzenesulfonamide
[no description available]		1.9610sulfonamide
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.		3.0710phenolsallergen
acetophenone
acetophenone : A methyl ketone that is acetone in which one of the methyl groups has been replaced by a phenyl group.		3.0710acetophenonesanimal metabolite;
photosensitizing agent;
xenobiotic
nitrobenzene
nitrobenzene : A nitroarene consisting of benzene carrying a single nitro substituent. An industrial chemical used widely in the production of aniline.		3.4720nitroarene;
nitrobenzenes
3-nitrotoluene
[no description available]		1.9610mononitrotoluene
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.		1.9610dinitrobenzeneneurotoxin
alpha-terpinene
[no description available]		2.0610cyclohexadiene;
monoterpene		plant metabolite;
volatile oil component
4-cymene
4-cymene: structure. p-cymene : A monoterpene that is toluene substituted by an isopropyl group at position 4.		2.0610monoterpene;
toluenes		human urinary metabolite;
plant metabolite;
volatile oil component
anisole
anisole : A monomethoxybenzene that is benzene substituted by a methoxy group.		3.4720monomethoxybenzeneplant metabolite
methylphenylsulfide
thioanisole : An aryl sulfide that is thiophenol in which the hydrogen of the thiol group has been replaced by a methyl group.		1.9610aryl sulfide;
benzenes
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
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.		3.0710aromatic fungicide;
phenols		disinfectant;
volatile oil component
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.		3.0710epoxide;
organochlorine compound
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.		2.3420bromoalkane;
bromohydrocarbon		algal metabolite;
carcinogenic agent;
fumigant;
marine metabolite;
mouse metabolite;
mutagen
1-bromopropane
1-bromopropane: used as a solvent. 1-bromopropane : A bromoalkane that is propane carrying a bromo substituent at position 1.		2.0310bromoalkane;
bromohydrocarbon		neurotoxin;
solvent
propargyl bromide
propargyl bromide: structure in first source		3.8130
1-butene
but-1-ene : A butene with unsaturation at position 1.		1.9610butene
propylamine
propylamine : A member of the class of alkylamines that is propane substituted by an amino group at C-1.		1.9610alkylamines
acrylonitrile
[no description available]		3.7730aliphatic nitrile;
volatile organic compound		antifungal agent;
carcinogenic agent;
fungal metabolite;
mutagen;
polar aprotic solvent
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-pentanone
pentanone : Any ketone that is pentane substituted by an oxo group at unspecified position.		3.0710methyl ketone;
pentanone		plant metabolite
methyl isobutyl ketone
[no description available]		3.0710ketone
3-xylene
m-xylene : A xylene carrying methyl groups at positions 1 and 3.		3.0710xylene
3-chloroaniline
3-chloroaniline: RN given refers to parent cpd		1.9610
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.		3.0710trichlorobenzene
bromobenzene
[no description available]		1.9610bromoarene;
bromobenzenes;
volatile organic compound		hepatotoxic agent;
mouse metabolite;
non-polar solvent
chlorobenzene
[no description available]		3.4720monochlorobenzenessolvent
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.		3.0710cyclohexanols;
secondary alcohol		solvent
cyclohexanone
[no description available]		3.0710cyclohexanoneshuman xenobiotic metabolite
thiophenol
thiophenol : A thiol in which the sulfanyl group is attached to a phenyl group.		1.9610aryl thiol
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.		3.0710acetate esterfragrance;
plant metabolite
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.		3.0710alkane;
volatile organic compound		non-polar solvent;
refrigerant
1-pentene
1-pentene: structure in first source		3.0710
butyl chloride
butyl chloride: structure		3.0710
ethyl vinyl ether
ethyl vinyl ether: structure		1.9610
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.		4.2750ethyl 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.		2.420pyrrole;
secondary amine
tetrahydrofuran
oxolane : A cyclic ether that is butane in which one hydrogen from each methyl group is substituted by an oxygen.		3.0710cyclic ether;
oxolanes;
saturated organic heteromonocyclic parent;
volatile organic compound		polar aprotic solvent
isobutyl acetate
isobutyl acetate : The acetate ester of isobutanol.		3.0710acetate esterSaccharomyces cerevisiae metabolite
pentanal
pentanal : A saturated fatty aldehyde composed from five carbons in a straight chain.		210saturated fatty aldehydeplant metabolite
2-ethoxyethanol
2-ethoxyethanol : A hydroxyether that is the ethyl ether derivative of ethylene glycol.		1.9610glycol ether;
primary alcohol		protic solvent;
teratogenic agent
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.		3.0710hexanol;
primary alcohol		alarm pheromone;
antibacterial agent;
fragrance;
plant metabolite
diethanolamine
diethanolamine: RN given refers to parent cpd. diethanolamine : A member of the class of ethanolamines that is ethanolamine having a N-hydroxyethyl substituent.		2.0210ethanolamineshuman xenobiotic metabolite
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.		3.0710heptanol;
primary alcohol		flavouring agent;
fragrance;
gap junctional intercellular communication inhibitor;
plant metabolite
heptanal
heptanal : An n-alkanal resulting from the oxidation of the alcoholic hydroxy group of heptan-1-ol to the corresponding aldehyde. An endogenous aldehyde coming from membrane lipid oxidation, it is found in the blood of lung cancer patients and has been regarded as a potential biomarker of lung cancer.		210medium-chain fatty aldehyde;
n-alkanal;
saturated fatty aldehyde		biomarker
propylene
propylene: structure		2.7130alkene;
gas molecular entity		refrigerant;
xenobiotic
dimethyl ether
dimethyl ether : An ether in which the oxygen atom is connected to two methyl groups.		1.9610ether
2,2,2-trichloroethanol
[no description available]		1.9610chloroethanolmouse metabolite
diphenylacetic acid
[no description available]		2.3320monocarboxylic acidxenobiotic metabolite
cyclopentanone
[no description available]		3.0710cyclopentanonesMaillard reaction product
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.		3.0710naphtholantinematodal drug;
genotoxin;
human urinary metabolite;
human xenobiotic metabolite;
mouse metabolite;
radical scavenger
ethyl acetate
ethyl acetate : The acetate ester formed between acetic acid and ethanol.		3.7630acetate ester;
ethyl ester;
volatile organic compound		EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor;
metabolite;
polar aprotic solvent;
Saccharomyces cerevisiae metabolite
dibutyl ether
[no description available]		3.0710
cycloguanil
cycloguanil: the active metabolite of proguanil; antifolate drug; structure in first source. cycloguanil : A triazine in which a 1,6-dihydro-1,3,5-triazine ring is substituted at N-1 by a 4-chlorophenyl group, at C-2 and -4 by amino groups and at C-6 by gem-dimethyl groups. A dihydrofolate reductase inhibitor, it is a metabolite of the antimalarial drug proguanil.		1.9610triazinesantifolate;
antiinfective agent;
antimalarial;
antiparasitic agent;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
triethylenediamine
triethylenediamine: RN given refers to parent cpd. triethylenediamine : An organic heterobicylic compound that is piperazine with an ethane-1,2-diyl group forming a bridge between N1 and N4. It is typically used as a catalyst in polymerization reactions.		1.9710bridged compound;
diamine;
saturated organic heterobicyclic parent;
tertiary amino compound		antioxidant;
catalyst;
reagent
methyl triflate
[no description available]		210
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.		1.9610ethyl sulfide
methysergide
Methysergide: An ergot derivative that is a congener of LYSERGIC ACID DIETHYLAMIDE. It antagonizes the effects of serotonin in blood vessels and gastrointestinal smooth muscle, but has few of the properties of other ergot alkaloids. Methysergide is used prophylactically in migraine and other vascular headaches and to antagonize serotonin in the carcinoid syndrome.. methysergide : A synthetic ergot alkaloid, structurally related to the oxytocic agent methylergonovine and to the potent hallucinogen LSD and used prophylactically to reduce the frequency and intensity of severe vascular headaches.		1.9610ergoline alkaloid
2-fluoroethanol
[no description available]		1.9610
cyanamide
Cyanamide: A cyanide compound which has been used as a fertilizer, defoliant and in many manufacturing processes. It often occurs as the calcium salt, sometimes also referred to as cyanamide. The citrated calcium salt is used in the treatment of alcoholism.. cyanamide : A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by an amino group.		2.4110nitrile;
one-carbon compound		EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor
cyanogen
cyanogen: structure. oxalonitrile : A dinitrile that is ethane substituted by two cyano groups.		7.8330dinitrile;
pseudohalogen
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.		1.9610monofluorobenzenesNMR chemical shift reference compound
propadiene
[no description available]		2.3920allenes
carbonyl sulfide
carbonyl sulfide: structure. carbonyl sulfide : A one-carbon compound in which the carbon atom is attached to an oxygen and a sulfur atom via double bonds.		7.4920one-carbon compound;
organosulfur compound
dimethylacetylene
dimethylacetylene: structure in source		1.9610
syringic acid
syringic acid: RN given refers to parent cpd; structure in third source. syringic acid : A dimethoxybenzene that is 3,5-dimethyl ether derivative of gallic acid.		7.2510benzoic acids;
dimethoxybenzene;
phenols		plant metabolite
dazomet
dazomet: fumigant for poultry litter & eggs to control salmonella; structure. dazomet : A dithiocarbamic ester that is 1,3,5-thiadiazinane with a thione moiety at position 2 and in which the hydrogens attached to the nitrogens are replaced by methyl groups. A fungicide, herbicide and nematicide, it is used prior to sowing or planting for the control of soil fungi, nematodes, bacteria and germinating weeds, and as fumigant for poultry litter and eggs to control Salmonella. It is a non-ozone-depleting alternative to methyl bromide.		3.360dithiocarbamic ester;
thiadiazinane		antibacterial agent;
antifungal agrochemical;
herbicide;
nematicide
Ethyl pentanoate
ethyl valerate: a green apple flavoring agent		3.0710fatty acid ester
1,3-dichlorobenzene
1,3-dichlorobenzene : A dichlorobenzene carrying chloro substituents at positions 1 and 3.		3.0710dichlorobenzene
methyl isothiocyanate
methyl isothiocyanate: structure. methyl isothiocyanate : An isothiocyanate having a methyl group attached to the nitrogen. It is also the active nematicide of the pronematicide metam-sodium.		3.5220isothiocyanatefumigant;
lachrymator;
nematicide
3-chloro-2-methylprop-1-ene
[no description available]		2.3320organochlorine compound
potassium carbonate
potassium carbonate : A potassium salt that is the dipotassium salt of carbonic acid.		2.0510carbonate salt;
potassium salt		catalyst;
fertilizer;
flame retardant
nitrosobenzene
[no description available]		1.9610benzenes;
nitroso compound		xenobiotic metabolite
iodobenzene
iodobenzene: RN given refers to unlabeled parent cpd		1.9610
fluoromethane
fluoromethane: RN given refers to parent cpd. fluorocarbon : Compounds consisting wholly of fluorine and carbon.. fluoromethane : A member of the class of fluoromethanes that is methane in which a single hydrogen is substituted by a fluorine atom.		2.9340fluorohydrocarbon;
fluoromethanes;
methyl halides		refrigerant
vinyl bromide
vinyl bromide: structure		1.9610bromoalkene;
monohaloethene
diisopropylnitrosamine
[no description available]		1.9610
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.		3.0710pentachlorobenzenespersistent organic pollutant
acetylcysteine
N-acetyl-L-cysteine : An N-acetyl-L-amino acid that is the N-acetylated derivative of the natural amino acid L-cysteine.		3.110acetylcysteine;
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
dimethyl disulfide
[no description available]		7.5420organic disulfidexenobiotic metabolite
2-hexanol
hexan-2-ol : A hexanol in which the hydroxy group is at position 2.		3.0710hexanol;
secondary alcohol		human metabolite;
plant metabolite;
semiochemical
amyl acetate
amyl acetate: sources do not specify n-isomer. pentyl acetate : An acetate ester of pentanol.		3.4820acetate estermetabolite
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.		3.0710tetrachlorobenzene
1,2,3,5-tetrachlorobenzene
1,2,3,5-tetrachlorobenzene : A tetrachlorobenzene carrying chloro groups at positions 1, 2, 3 and 5.		3.0710tetrachlorobenzene
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.		1.9610N-nitrosoureasalkylating agent;
carcinogenic agent;
mutagen;
teratogenic agent
methyl phenyl sulfoxide
(methylsulfinyl)benzene : A sulfoxide resulting from the formal oxidation of the sulfur atom of thioanisole.		1.9610benzenes;
sulfoxide
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.		3.1710hydrogen halide;
mononuclear parent hydride		NMR chemical shift reference compound
ammonium hydroxide
Ammonium Hydroxide: The hydroxy salt of ammonium ion. It is formed when AMMONIA reacts with water molecules in solution.. ammonium hydroxide : A solution of ammonia in water.		2.0510inorganic hydroxy compoundfood acidity regulator
2,5-dihydrofuran
2,5-dihydrofuran: structure in first source		1.9610
sulfuryl fluoride
sulfuryl fluoride: fumigant		4.7390sulfuryl halidefumigant insecticide
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.		2.0510carbon oxoanion
4,6-diamino-2,2-dimethyl-1,2-dihydro-1-phenyl-s-triazine
4,6-diamino-2,2-dimethyl-1,2-dihydro-1-phenyl-s-triazine: structure in first source		1.9610
diaveridine
diaveridine: RN given refers to parent cpd; structure. diaveridine : An aminopyrimidine in which the pyrimidine ring carries amino substituents at C-2 and C-4 and a 3,4-dimethoxybenzyl group at C-5. A folic acid antagonist, it is used as a synergist with sulfonamides against the parasitic Eimeria species.		1.9610aminopyrimidineantiparasitic agent;
drug allergen
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.		1.9910cycloalkene;
p-menthadiene		human metabolite
chlorphenamidine
Chlorphenamidine: An acaricide used against many organophosphate and carbamate resistant pests. It acts as an uncoupling agent and monoamine oxidase inhibitor.		1.9610
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.		2.2510elemental platinum;
nickel group element atom;
platinum group metal 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.		210titanium group 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.		2.0210monoatomic argon;
noble gas atom;
p-block element atom		food packaging gas;
neuroprotective 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.		3.7190mononuclear 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.		8.2360diatomic bromine
s-methylcysteine
S-methylcysteine: RN given refers to parent cpd without isomeric designation. S-methylcysteine : A cysteine derivative that is L-cysteine in which the hydrogen attached to the sulfur is replaced by a methyl group.		3.0850S-alkyl-L-cysteine zwitterion;
S-alkyl-L-cysteine		human urinary metabolite;
plant metabolite
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.		1.9610chromium oxoanion;
divalent inorganic anion		oxidising agent
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.		3.110inorganic sodium saltantidote to cyanide poisoning;
antifungal drug;
nephroprotective agent
chlorine
Chlorine: An element with atomic symbol Cl, atomic number 17, and atomic weight 35, and member of the halogen family.		2.7330diatomic chlorine;
gas molecular entity		bleaching agent
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.		5.0270elemental molecule;
gas molecular entity;
reactive oxygen species;
triatomic oxygen		antiseptic drug;
disinfectant;
electrophilic reagent;
greenhouse gas;
mutagen;
oxidising agent;
tracer
1,3-dichloro-1-propene
1,3-dichloro-1-propene: soil fumigant; RN given refers to cpd without isomeric designation; structure. 1,3-dichloropropene : A chloropropene with two chloro substituents at positions 1 and 3 respectively..		5.28160
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.		210titanium oxidesfood colouring
fluorides
[no description available]		2.0510halide anion;
monoatomic fluorine
iodine
[no description available]		2.3720halide anion;
monoatomic iodine		human metabolite
aluminum phosphide
[no description available]		2.3820
fenamiphos
[no description available]		2.730organophosphate insecticide;
organophosphate nematicide;
phosphoramidate ester		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
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.		3.0650benzenes;
phenyl acetates
butyl acetate
butyl acetate: structure. butyl acetate : The acetate ester of butanol.		3.0710acetate estermetabolite
methacrylonitrile
methacrylonitrile: lacrimator; preparation of polymers & homopolymers; structure		1.9610
tetrachloroethylene
Tetrachloroethylene: A chlorinated hydrocarbon used as an industrial solvent and cooling liquid in electrical transformers. It is a potential carcinogen.		1.9610chlorocarbon;
chloroethenes		nephrotoxic agent
isothiuronium
Isothiuronium: An undecenyl THIOUREA which may have topical anti-inflammatory activity.		2.3420
alkenes
[no description available]		2.4820
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).		3.1310inorganic sodium saltantibacterial agent;
explosive;
mitochondrial respiratory-chain inhibitor;
mutagen
permethrin
hemoglobin Atlanta-Coventry: Leu replaced by Pro at beta75 and Leu deleted at beta141		210cyclopropanecarboxylate ester;
cyclopropanes		agrochemical;
ectoparasiticide;
pyrethroid ester acaricide;
pyrethroid ester insecticide;
scabicide
3-methyl-2-butenal
3-methylbut-2-enal : An enal consisting of but-2-ene with a methyl substituent at position 3 and an oxo group at position 1.		210enalmetabolite
trichloroacetamide
[no description available]		1.9610
o-(6)-methylguanine
O-(6)-methylguanine: structure. 6-O-methylguanine : A methylguanine in which the methyl group is positioned on the oxygen at position 6. Formed in DNA by alkylation of the oxygen atom of guanine, most often by N-nitroso compounds and sometimes due to methylation by other compounds such as endogenous S-adenosylmethionine, it base-pairs to thymine rather than cytidine, causing a G:C to A:T transition in DNA.. methylguanine : A 2-aminopurine that is guanine bearing a single methyl substituent.		2.940methylguaninemutagen
physostigmine heptyl
physostigmine heptyl: RN given for (3aS-cis)-isomer; structure given in first source; possible use in therapy of Alzheimer's disease		210
trifluoroacetamide
[no description available]		1.9610
5-iodouracil
5-iodouracil: RN given refers to parent cpd. 5-iodouracil : An organoiodine compound consisting of uracil having an iodo substituent at the 5-position.		1.9610organoiodine compoundantimetabolite
clotiazepam
2-carene: a monoterpene; structure in first source		2.0610monoterpenoid
2,4-diamino-5-benzylpyrimidine
2,4-diamino-5-benzylpyrimidine: structure given in first source		1.9610
lithium bromide
lithium bromide: denatures ribonuclease A; also sedative. lithium bromide : A lithium salt in which the counterion is bromide. The anhydrous salt forms cubic crystals similar to common salt.		2.0510bromide salt;
lithium salt
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.		1.9310
s-methyl glutathione
[no description available]		210methyl sulfide;
S-substituted glutathione;
zwitterion
sulbactam
[no description available]		2.4110penicillanic acids
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.		1.9610carbodiimide
lithium fluoride
lithium fluoride: RN given refers to cpd with MF of Li-F; GR200-A is LiF activated by Mg, Cu, and P		2.0510
potassium bromide
potassium bromide : A metal bromide salt with a K(+) counterion.		1.9710potassium salt
2-oxindole
2-oxindole: RN given refers to parent cpd; structure. indolin-2-one : An indolinone carrying an oxo group at position 2.		2.0810gamma-lactam;
indolinone
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.		2.0510inorganic chloride;
lithium salt		antimanic drug;
geroprotector
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.		1.9610monoterpenoid indole alkaloid;
organic heteroheptacyclic compound		avicide;
cholinergic antagonist;
glycine receptor antagonist;
neurotransmitter agent;
rodenticide
pectins
Pectins: High molecular weight polysaccharides present in the cell walls of all plants. Pectins cement cell walls together. They are used as emulsifiers and stabilizers in the food industry. They have been tried for a variety of therapeutic uses including as antidiarrheals, where they are now generally considered ineffective, and in the treatment of hypercholesterolemia.. alpha-D-galacturonic acid : The alpha-anomer of D-galacturonic acid.		2.0410D-galactopyranuronic acid
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.		2.6330one-carbon compound;
thioureas;
ureas		antioxidant;
chromophore
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.		2.3820barbituratesanticonvulsant;
drug allergen;
environmental contaminant;
intravenous anaesthetic;
sedative;
xenobiotic
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.		1.9610alkali metal atom
n-ethylthiourea
[no description available]		1.9610thioureas
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.		2.4120nitrogen oxide
5-nitroso-salicylate
5-nitroso-salicylate: metabolite of 5-aminosalicylic acid		1.9610hydroxybenzoic acid
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.		2.0210
2-hexenal, z-isomer
2-hexenal: product of lipid peroxidation in the rat liver; a green odor chemical; do not confuse with the hexabarbital synonym, hexenal; RN given refers to cpd without isomeric designation. 2-hexenal : A hexenal having the double bond at the 2-position.. (2E)-hexenal : A 2-hexenal in which the olefinic double bond has E configuration. It occurs naturally in a wide range of fruits, vegetables, and spices.		2102-hexenalantibacterial agent;
flavouring agent;
plant metabolite
ciguatoxins
Ciguatoxins: Polycyclic ethers produced by Gambierdiscus (DINOFLAGELLATES) from gambiertoxins, which are ingested by fish which in turn may be ingested by humans who are susceptible to the CIGUATERA POISONING.. ciguatoxin CTX1B : A ciguatoxin comprising a sequence of twelve trans-fused six-, seven-, eight- and nine-membered rings and a spiro-fused five-membered ring. A commonly encountered fish toxin.. ciguatoxin : Ciguatoxins are cyclic polyether toxins, derived from marine dinoflagellates, which are responsible for the symptoms of ciguatera poisoning. Ingestion of tropical and subtropical fin fish contaminated by ciguatoxins results in an illness characterised by neurological, cardiovascular and gastrointestinal disorders.		1.9810ciguatoxinmetabolite
aluminum
Aluminum: A metallic element that has the atomic number 13, atomic symbol Al, and atomic weight 26.98.		1.9610boron group element atom;
elemental aluminium;
metal atom
bismuth
Bismuth: A metallic element that has the atomic symbol Bi, and atomic number 83. Its principal isotope is Bismuth 209.		2.6530metal atom;
pnictogen
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.		2.420chalcogen;
nonmetal atom		macronutrient
2-pentenal
2-pentenal: RN given refers to cpd without isomeric designation. 2-pentenal : An enal consisting of pent-2-ene having an oxo group at the 1-position. (E)-2-pentenal : A 2-pentenal in which the double bond has (E)-configuration. It is found in cigarette smoke, virgin olive oil, and milk.		2102-pentenalplant metabolite
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.		3.2460cysteiniumfundamental metabolite
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].		2.4620carbon 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.		7.3320monoatomic phosphorus;
nonmetal atom;
pnictogen		macronutrient
6-(bromomethylene)tetrahydro-3-(1-naphthaleneyl)-2h-pyran-2-one
6-(bromomethylene)tetrahydro-3-(1-naphthaleneyl)-2H-pyran-2-one: structure given in first source; potent irreversible, mechanism-based inhibitor of myocardial calcium-independent phospholipase A2		2.0310naphthalenes
chloralose
Chloralose: A derivative of CHLORAL HYDRATE that was used as a sedative but has been replaced by safer and more effective drugs. Its most common use is as a general anesthetic in animal experiments.		2.3720
oxamyl
oxamyl: RN given refers to parent cpd; structure		2.0110
homatropine methylbromide
homatropine methylbromide: RN given refers to bromide (endo-(+-))-isomer		2.3320
scopolamine hydrobromide
[no description available]		210
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.		1.9910chlorophyll;
methyl ester		cofactor
n-methylcarbamate
N-methylcarbamate: RN given refers to parent cpd		2.0210amino-acid anion
cardiovascular agents
Cardiovascular Agents: Agents that affect the rate or intensity of cardiac contraction, blood vessel diameter, or blood volume.		1.9310
piperidines
Piperidines: A family of hexahydropyridines.		2.8640
natriuretic peptide, brain
Natriuretic Peptide, Brain: A PEPTIDE that is secreted by the BRAIN and the HEART ATRIA, stored mainly in cardiac ventricular MYOCARDIUM. It can cause NATRIURESIS; DIURESIS; VASODILATION; and inhibits secretion of RENIN and ALDOSTERONE. It improves heart function. It contains 32 AMINO ACIDS.		2.4110polypeptide
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.		3.0610ascorbic acid;
vitamin C		coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent
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.		2.0110
nitrophenols
Nitrophenols: PHENOLS carrying nitro group substituents.		1.9610
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.		1.9310
guanine
[no description available]		2.9402-aminopurines;
oxopurine;
purine nucleobase		algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae 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.		1.9310folic acids;
N-acyl-amino acid		human metabolite;
mouse metabolite;
nutrient
7-methylguanine
7-methylguanine: RN given refers to unlabeled cpd; structure. 7-methylguanine : A methylguanine that is guanine substituted by a methyl group at position 7. It is a metabolite obtained during the methylation of DNA.. 2-imino-7-methyl-1,2,3,7-tetrahydro-6H-purin-6-one : A 7-methylguanine that is 1,2,3,7-tetrahydro-6H-purin-6-one substituted by an imino group at position 2 and a methyl group at position 7.. 2-amino-7-methyl-7H-purin-6-ol : A 7-methylguanine that is 7H-purine substituted by an amino group at position 2, a methyl group at position 7 and a hydroxy group at position 6.. 2-amino-7-methyl-1,7-dihydro-6H-purin-6-one : A 7-methylguanine that is 1,7-dihydro-6H-purin-6-one substituted by an amino group at position 2 and a methyl group at position 7.		1.98107-methylguanine
carbidopa
Carbidopa: An inhibitor of DOPA DECARBOXYLASE that prevents conversion of LEVODOPA to dopamine. It is used in PARKINSON DISEASE to reduce peripheral adverse effects of LEVODOPA. It has no anti-parkinson activity by itself.. carbidopa : The hydrate of 3-(3,4-dihydroxyphenyl)propanoic acid in which the hydrogens alpha- to the carboxyl group are substituted by hydrazinyl and methyl groups (S-configuration). Carbidopa is a dopa decarboxylase inhibitor, so prevents conversion of levodopa to dopamine. It has no antiparkinson activity by itself, but is used in the management of Parkinson's disease to reduce peripheral adverse effects of levodopa.		2.3820
ConditionIndicatedRelationship StrengthStudiesTrials
Acute Kidney Failure
[description not available]		02.4110
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.		07.4110
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.		02.4110
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.		05.8160
Recrudescence
[description not available]		02.4820
Agricultural Worker Disease
[description not available]		03.5180
Asthma, Bronchial
[description not available]		02.2510
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).		02.2510
Bewilderment
[description not available]		02.0810
Exanthem
[description not available]		02.0810
Diseases, Occupational
[description not available]		06.56350
Absence Seizure
[description not available]		03.0850
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.		02.0810
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.		03.0850
Birth Weight
The mass or quantity of heaviness of an individual at BIRTH. It is expressed by units of pounds or kilograms.		02.0810
Pregnancy
The status during which female mammals carry their developing young (EMBRYOS or FETUSES) in utero before birth, beginning from FERTILIZATION to BIRTH.		08.0850
Encephalopathy, Toxic
[description not available]		04.3640
Peripheral Nerve Injury
[description not available]		02.1310
Peripheral Nerve Injuries
Injuries to the PERIPHERAL NERVES.		02.1310
Allergic Contact Dermatitis
[description not available]		03.0610
Burns, Chemical
Burns caused by contact with or exposure to CAUSTICS or strong ACIDS.		03.820
Foot Injuries
General or unspecified injuries involving the foot.		03.0610
Injuries, Leg
[description not available]		03.0610
Dermatitis, Allergic Contact
A contact dermatitis due to allergic sensitization to various substances. These substances subsequently produce inflammatory reactions in the skin of those who have acquired hypersensitivity to them as a result of prior exposure.		03.0610
Brain Disorders
[description not available]		03.1150
Cerebellar Diseases
Diseases that affect the structure or function of the cerebellum. Cardinal manifestations of cerebellar dysfunction include dysmetria, GAIT ATAXIA, and MUSCLE HYPOTONIA.		02.4420
Dysesthesia
[description not available]		02.4420
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.		03.1150
Urinary Tract Diseases
[description not available]		01.9210
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.		01.9210
Nervous System Disorders
[description not available]		04.6100
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.		04.6100
Drug Overdose
Accidental or deliberate use of a medication or street drug in excess of normal dosage.		02.0510
ALS - Amyotrophic Lateral Sclerosis
[description not available]		02.0510
Amyotrophic Lateral Sclerosis
A degenerative disorder affecting upper MOTOR NEURONS in the brain and lower motor neurons in the brain stem and SPINAL CORD. Disease onset is usually after the age of 50 and the process is usually fatal within 3 to 6 years. Clinical manifestations include progressive weakness, atrophy, FASCICULATION, hyperreflexia, DYSARTHRIA, dysphagia, and eventual paralysis of respiratory function. Pathologic features include the replacement of motor neurons with fibrous ASTROCYTES and atrophy of anterior SPINAL NERVE ROOTS and corticospinal tracts. (From Adams et al., Principles of Neurology, 6th ed, pp1089-94)		02.0510
Infections, Nematode
[description not available]		02.9710
Aging
The gradual irreversible changes in structure and function of an organism that occur as a result of the passage of time.		02.0610
Respiratory Tract Diseases
Diseases involving the RESPIRATORY SYSTEM.		02.0610
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.		02.4320
Dizzyness
[description not available]		02.4120
Age-Related Memory Disorders
[description not available]		02.0610
Dizziness
An imprecise term which may refer to a sense of spatial disorientation, motion of the environment, or lightheadedness.		02.4120
Memory Disorders
Disturbances in registering an impression, in the retention of an acquired impression, or in the recall of an impression. Memory impairments are associated with DEMENTIA; CRANIOCEREBRAL TRAUMA; ENCEPHALITIS; ALCOHOLISM (see also ALCOHOL AMNESTIC DISORDER); SCHIZOPHRENIA; and other conditions.		02.0610
Cancer of Prostate
[description not available]		02.9910
Prostatic Neoplasms
Tumors or cancer of the PROSTATE.		02.9910
Cancer of Stomach
[description not available]		03.8140
Stomach Neoplasms
Tumors or cancer of the STOMACH.		03.8140
Myoclonic Jerk
[description not available]		04.59100
Metaplasia
A condition in which there is a change of one adult cell type to another similar adult cell type.		02.0110
Chronic Illness
[description not available]		03.7940
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).		03.7940
Abortion, Tubal
[description not available]		01.9310
Abortion, Spontaneous
Expulsion of the product of FERTILIZATION before completing the term of GESTATION and without deliberate interference.		01.9310
Cholera Infantum
[description not available]		02.3420
Abdominal Cramps
[description not available]		01.9310
Colitis Gravis
[description not available]		01.9310
Colonic Diseases
Pathological processes in the COLON region of the large intestine (INTESTINE, LARGE).		01.9310
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.		01.9310
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.		01.9310
Polyneuropathy, Acquired
[description not available]		01.9310
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.		01.9310
Brain Damage, Chronic
A condition characterized by long-standing brain dysfunction or damage, usually of three months duration or longer. Potential etiologies include BRAIN INFARCTION; certain NEURODEGENERATIVE DISORDERS; CRANIOCEREBRAL TRAUMA; ANOXIA, BRAIN; ENCEPHALITIS; certain NEUROTOXICITY SYNDROMES; metabolic disorders (see BRAIN DISEASES, METABOLIC); and other conditions.		02.3620
Gall Bladder Diseases
[description not available]		01.9410
Ovine Diseases
[description not available]		02.3420
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.		01.9410
Gas Poisoning
Poisoning that results from exposure to gases such as CARBON MONOXIDE; NOBLE GASES; OXYGEN; or NATURAL GAS.		02.6330
Focal Neurologic Deficits
[description not available]		01.9410
Psychoses, Drug
[description not available]		02.3420
Bacillus anthracis Infection
[description not available]		02.6230
Anthrax
An acute infection caused by the spore-forming bacteria BACILLUS ANTHRACIS. It commonly affects hoofed animals such as sheep and goats. Infection in humans often involves the skin (cutaneous anthrax), the lungs (inhalation anthrax), or the gastrointestinal tract. Anthrax is not contagious and can be treated with antibiotics.		07.6230
Anterior Horn Cell Disease
[description not available]		02.0210
Motor Neuron Disease
Diseases characterized by a selective degeneration of the motor neurons of the spinal cord, brainstem, or motor cortex. Clinical subtypes are distinguished by the major site of degeneration. In AMYOTROPHIC LATERAL SCLEROSIS there is involvement of upper, lower, and brainstem motor neurons. In progressive muscular atrophy and related syndromes (see MUSCULAR ATROPHY, SPINAL) the motor neurons in the spinal cord are primarily affected. With progressive bulbar palsy (BULBAR PALSY, PROGRESSIVE), the initial degeneration occurs in the brainstem. In primary lateral sclerosis, the cortical neurons are affected in isolation. (Adams et al., Principles of Neurology, 6th ed, p1089)		02.0210
Ataxia of Gait
[description not available]		02.0210
Acquired Metabolic Diseases, Brain
[description not available]		02.0210
Peripheral Nerve Diseases
[description not available]		04.2970
Central Nervous System Origin Vertigo
[description not available]		02.0210
Brown Tendon Sheath Syndrome
[description not available]		02.0210
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.		04.2970
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)		02.0210
Disease Models, Animal
Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.		02.4120
Cirrhosis
[description not available]		02.0210
Cardiac Diseases
[description not available]		02.0210
Fibrosis
Any pathological condition where fibrous connective tissue invades any organ, usually as a consequence of inflammation or other injury.		02.0210
Heart Diseases
Pathological conditions involving the HEART including its structural and functional abnormalities.		02.0210
Acute Disease
Disease having a short and relatively severe course.		03.0950
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)		03.3420
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.		01.9210
Abnormalities, Autosome
[description not available]		02.6930
Polyploid
[description not available]		02.0410
Benign Neoplasms
[description not available]		04.3730
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.		04.3730
Body Weight
The mass or quantity of heaviness of an individual. It is expressed by units of pounds or kilograms.		03.84120
Carcinoma, Epidermoid
[description not available]		03.2920
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)		03.2920
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.		02.8940
Chemical Dependence
[description not available]		02.3820
Substance-Related Disorders
Disorders related to substance use or abuse.		02.3820
Benign Neoplasms, Brain
[description not available]		01.9810
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.		01.9810
Neuroma
A tumor made up of nerve cells and nerve fibers. (Dorland, 27th ed)		01.9810
Necrosis
The death of cells in an organ or tissue due to disease, injury or failure of the blood supply.		02.3820
Ear Diseases
Pathological processes of the ear, the hearing, and the equilibrium system of the body.		01.9810
Cryptosporidium Infection
[description not available]		01.9910
Cryptosporidiosis
Intestinal infection with organisms of the genus CRYPTOSPORIDIUM. It occurs in both animals and humans. Symptoms include severe DIARRHEA.		01.9910
Central Nervous System Disease
[description not available]		03.320
Central Nervous System Diseases
Diseases of any component of the brain (including the cerebral hemispheres, diencephalon, brain stem, and cerebellum) or the spinal cord.		03.320
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.		01.9910
MODS
[description not available]		01.9910
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.		01.9910
Disease, Pulmonary
[description not available]		01.9910
Kidney Diseases
Pathological processes of the KIDNEY or its component tissues.		02.3920
Lung Diseases
Pathological processes involving any part of the LUNG.		01.9910
Nerve Degeneration
Loss of functional activity and trophic degeneration of nerve axons and their terminal arborizations following the destruction of their cells of origin or interruption of their continuity with these cells. The pathology is characteristic of neurodegenerative diseases. Often the process of nerve degeneration is studied in research on neuroanatomical localization and correlation of the neurophysiology of neural pathways.		02.420
Experimental Neoplasms
[description not available]		03.3120
Extravascular Hemolysis
[description not available]		0210
Hemolysis
The destruction of ERYTHROCYTES by many different causal agents such as antibodies, bacteria, chemicals, temperature, and changes in tonicity.		0210
Botulism, Infantile
[description not available]		0210
Emesis
[description not available]		02.3920
Botulism
A disease caused by potent protein NEUROTOXINS produced by CLOSTRIDIUM BOTULINUM which interfere with the presynaptic release of ACETYLCHOLINE at the NEUROMUSCULAR JUNCTION. Clinical features include abdominal pain, vomiting, acute PARALYSIS (including respiratory paralysis), blurred vision, and DIPLOPIA. Botulism may be classified into several subtypes (e.g., food-borne, infant, wound, and others). (From Adams et al., Principles of Neurology, 6th ed, p1208)		0210
Vomiting
The forcible expulsion of the contents of the STOMACH through the MOUTH.		02.3920
Genetic Predisposition
[description not available]		02.9210
Ptosis, Eyelid
[description not available]		0210
Blepharoptosis
Drooping of the upper lid due to deficient development or paralysis of the levator palpebrae muscle.		0210
Edema, Pulmonary
[description not available]		02.3920
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.		02.3920
Convulsions, Grand Mal
[description not available]		01.9810
Benign Infantile Myoclonic Epilepsy
[description not available]		01.9810
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)		01.9810
Epilepsies, Myoclonic
A clinically diverse group of epilepsy syndromes characterized either by myoclonic seizures or by myoclonus in association with other seizure types. Myoclonic epilepsy syndromes are divided into three subtypes based on etiology: familial, cryptogenic, and symptomatic.		01.9810
Beriberi, Cerebral
[description not available]		02.3820
Brain Swelling
[description not available]		01.9810
Canine Diseases
[description not available]		01.9810
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)		01.9810
Weight Gain
Increase in BODY WEIGHT over existing weight.		01.9810
Bilateral Headache
[description not available]		01.9710
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.		01.9710
Emergencies
Situations or conditions requiring immediate intervention to avoid serious adverse results.		02.3820
Experimental Leukemia
[description not available]		01.9710
Nausea
An unpleasant sensation in the stomach usually accompanied by the urge to vomit. Common causes are early pregnancy, sea and motion sickness, emotional stress, intense pain, food poisoning, and various enteroviruses.		01.9710
Bleb
[description not available]		01.9710
Contact Dermatitis
[description not available]		01.9710
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.		01.9710
Erythema
Redness of the skin produced by congestion of the capillaries. This condition may result from a variety of disease processes.		02.3720
Dermatitis, Occupational
A recurrent contact dermatitis caused by substances found in the work place.		02.3720
Leukocytosis
A transient increase in the number of leukocytes in a body fluid.		01.9710
Hives
[description not available]		01.9710
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.		01.9710
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.		08.2920
Idiopathic Parkinson Disease
[description not available]		01.9610
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)		01.9610
Distorted Hearing
[description not available]		01.9610
Dyskinesia Syndromes
[description not available]		01.9610
Movement Disorders
Syndromes which feature DYSKINESIAS as a cardinal manifestation of the disease process. Included in this category are degenerative, hereditary, post-infectious, medication-induced, post-inflammatory, and post-traumatic conditions.		01.9610
Gastric Diseases
[description not available]		01.9610
Absence Status
[description not available]		01.9610
Status Epilepticus
A prolonged seizure or seizures repeated frequently enough to prevent recovery between episodes occurring over a period of 20-30 minutes. The most common subtype is generalized tonic-clonic status epilepticus, a potentially fatal condition associated with neuronal injury and respiratory and metabolic dysfunction. Nonconvulsive forms include petit mal status and complex partial status, which may manifest as behavioral disturbances. Simple partial status epilepticus consists of persistent motor, sensory, or autonomic seizures that do not impair cognition (see also EPILEPSIA PARTIALIS CONTINUA). Subclinical status epilepticus generally refers to seizures occurring in an unresponsive or comatose individual in the absence of overt signs of seizure activity. (From N Engl J Med 1998 Apr 2;338(14):970-6; Neurologia 1997 Dec;12 Suppl 6:25-30)		01.9610
Long Sleeper Syndrome
[description not available]		01.9610
Sleep Wake Disorders
Abnormal sleep-wake schedule or pattern associated with the CIRCADIAN RHYTHM which affect the length, timing, and/or rigidity of the sleep-wake cycle relative to the day-night cycle.		01.9610
Anoxemia
[description not available]		01.9610
Hypoxia
Sub-optimal OXYGEN levels in the ambient air of living organisms.		01.9610