1,2-dibromo-3-chloropropane profile

## 1,2-Dibromo-3-chloropropane (DBCP)

**1,2-Dibromo-3-chloropropane (DBCP)** is a **colorless, volatile liquid** with a **sweet odor**. It is a **halogenated alkane**, meaning it contains bromine and chlorine atoms attached to a chain of carbon atoms.

**Historically, DBCP was used as a soil fumigant to control nematodes and other pests.** However, it was **banned in many countries** in the 1970s and 1980s due to its **high toxicity and carcinogenic properties**.

**Importance for research:**

Despite its ban, DBCP continues to be of interest in research due to its:

* **Toxicological significance:** Research focuses on understanding its **mechanisms of toxicity**, particularly its **carcinogenicity** and effects on the **reproductive system**. This includes studying its interactions with DNA and its potential to induce mutations.
* **Environmental impact:** Research investigates the **persistence and bioaccumulation** of DBCP in the environment, as well as its **fate and transport** in soil and water systems.
* **Historical perspective:** DBCP provides a **cautionary tale** regarding the potential **unforeseen consequences** of using synthetic chemicals. Its story highlights the importance of thorough **risk assessments** and **long-term monitoring** before introducing new chemicals into the environment.
* **Analytical chemistry:** DBCP can serve as a **model compound** for developing and validating **analytical methods** for detecting and quantifying other volatile organic compounds.
* **Bioremediation:** Research explores the use of **microorganisms** to break down DBCP in contaminated soil and water, potentially leading to new bioremediation strategies.

**It is important to note that while DBCP is banned in many countries, it may still be present in the environment due to past use and potential illegal production.** Therefore, understanding its properties and its impact on human health and the environment remains crucial.

**Safety precautions:**

* DBCP is highly toxic and should be handled with extreme caution.
* It is important to wear appropriate personal protective equipment when working with or around DBCP.
* Never handle DBCP without proper training and safety protocols.

1,2-dibromo-3-chloropropane: RN given refers to cpd with specified locants for bromine & chlorine moieties [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

ID Source	ID
PubMed CID	7280
CHEMBL ID	1331743
CHEBI ID	34044
SCHEMBL ID	82591
MeSH ID	M0050445

Synonym
AKOS015836028
bbc 12
propane,2-dibromo-3-chloro-
dibromochloropropane
dibromchlorpropan
nci-c00500
sd 1897
nemazon
nsc-1512
nemafume
1,2-dibromo-3-cloro-propano
dbcp
nemabrom
nemapaz
1,2-dibromo-3-chloropropane
3-chloro-1,2-dibromopropane
fumazone 86
nemanax
1,2-dibroom-3-chloorpropaan
nemagon 20g
96-12-8
nemagon
fumazone
fumazone 86e
os 1897
nemagon 90
nemagon 20
nemaset
fumagon
nemagon soil fumigant
wln: g1ye1e
1-chloro-2,3-dibromopropane
nsc1512
1,2-dibrom-3-chlor-propan
propane, 1,2-dibromo-3-chloro-
inchi=1/c3h5br2cl/c4-1-3(5)2-6/h3h,1-2h
NCGC00090684-01
oxy dbcp
nemagon 206
bbcp
1,2-dibroom-3-chloorpropaan [dutch]
un2872
nematocide em 15.1
1,2-dibrom-3-chlor-propan [german]
nematocide em 12.1
rcra waste number u066
ai3-18445
1,2-dibromo-3-cloro-propano [italian]
caswell no. 287
epa pesticide chemical code 011301
nemanex
2,3-dibromo-1-chloropropane
nematocide
durham nematicode em 17.1
ccris 215
gro-tone nematode granular
fumazon 86
nsc 1512
einecs 202-479-3
dibromchlorpropan [german]
brn 1732077
nemagone
propane, 1-chloro-2,3-dibromo-
hsdb 1629
rcra waste no. u066
1,2-dibromo-3-chloropropane, 97%
1,2-dibromo-3-chloropropane (dbcp)
smr000677929
MLS001061196
1,2-dibromopropyl chloride
3-chloropropylene bromide
C0806
A845549
NCGC00090684-02
HMS3039L07
propane, dibromochloro-
67708-83-2
dtxcid50413
tox21_200382
cas-96-12-8
NCGC00257936-01
dtxsid3020413 ,
dibromochloropropane [un2872] [poison]
3-01-00-00250 (beilstein handbook reference)
96k0fd4803 ,
unii-96k0fd4803
ec 202-479-3
FT-0606354
dibromochloropropane [mi]
1,2-dibromo-3-chloropropane [hsdb]
1,2-dibromo-3-chloropropane [iarc]
dibromochloropropane [mart.]
SCHEMBL82591
CHEMBL1331743
CHEBI:34044 ,
clch2chbrch2br
mfcd00039365
1,2-dibromo-3-chloropropane, pestanal(r), analytical standard
1,2-dibromo-3-chloropropane 2000 microg/ml in methanol
Q161465
D89298

Excerpt	Reference	Relevance
" The dibromomonochlorinated analogue 1,3-dibromo-2-chloropropane was less organ toxic than DBCP and 1,2,3-tribromopropane, but induced more organ damage than the dichloromonobrominated analogues 1-bromo-2,3-dichloropropane and 1,3-dichloro-2-bromopropane."	( Effect of bromine and chlorine positioning in the induction of renal and testicular toxicity by halogenated propanes. Brunborg, G; Dahl, JE; Dybing, E; Holme, JA; Låg, M; Nelson, SD; Omichinski, JG; Søderlund, EJ, )	0.13
"This study was set to determine if there is a correlation between the general toxic effect and the gonadotoxic effect of DBCP on male rats."	( The effects of 1,2-dibromo-3-chloropropane (DBCP) on general toxicity and gonadotoxicity in rats. Kaplanski, J; Potashnik, G; Shemi, D; Sod-Moriah, UA; Waksman, J, )	0.48
" the Leydig cell, is a potential site for the primary toxic effects of these agents in the rat testis."	( Gonadotoxic effects of 2-hexanone and 1,2-dibromo-3-chloropropane on the enzymatic activity of rat testicular 17 alpha-hydroxylase/C17,20-lyase. Ganjam, VK; Kelce, WR; Raisbeck, MF, 1990)	0.55
" One group of treated animals was killed 1 to 3 days afterward to compare the dose and time relationships of the acute toxic response of neonatal and weanling male rats to DBCP and another group at approximate sexual maturity (approximately 120 days of age) to detect residual toxic effects resulting from acute exposure."	( Initial and residual toxicity following acute exposure of developing male rats to dibromochloropropane. Greenwell, A; Harrington, F; Kluwe, WM; Weber, H, 1985)	0.27
" Single-treatment, subcutaneous LD50 values for DBCP were 102 mg/kg in non-pretreated and 128 mg/kg in phenobarbital pretreated rats."	( Chemical modulation of 1,2-dibromo-3-chloropropane toxicity. Kluwe, WM, )	0.44
" Organ toxicity studies showed that (S)-DBCP was slightly more renal toxic than (R)-DBCP but was not significantly more toxic than the racemate, and that no significant differences were observed in the extents of testicular necrosis and atrophy caused by either enantiomer or the racemate."	( Comparative toxicity of (+)-(R)- and (-)-(S)-1,2-dibromo-3-chloropropane. Dybing, E; Kouzi, SA; Meerman, JH; Nelson, SD; Søderlund, EJ, 1995)	0.55
" While current animal models are available, understanding of the reproductive toxic effects on human fertility requires a more robust model system."	( Assessing reproductive toxicity of two environmental toxicants with a novel in vitro human spermatogenic model. Bradner, JM; Caudle, WM; Easley, CA; Hansen, JM; McEachin, ZT; Merritt, MM; Moser, A; Rickman, CA, 2015)	0.42

Excerpt	Relevance	Reference
" The slopes of the dose-response curves (1."	( Induction of unscheduled DNA synthesis in mouse germ cells following 1,2-dibromo-3-chloropropane (DBCP) exposure. Lee, IP; Suzuki, K, 1979)	0.49
" In one study, we observed unusual dose-response in lymphocyte chromosome aberration frequencies after exposure of mice to low doses of a chemical mixture (benzene, chloroprene, epichlorohydrin, and xylene)."	( Cytogenetic assays in genotoxic studies: somatic cell effects of benzene and germinal cell effects of dibromochloropropane. Au, WW; Cantelli-Forti, G; Hrelia, P; Legator, MS, 1990)	0.28
" Dosing with 250 mg/kg azobenzene over 3 consecutive days led to an accumulation of micronucleated polychromatic erythrocytes."	( Micronucleus induction by azobenzene and 1,2-dibromo-3-chloropropane in the rat: evaluation of a triple-dose protocol. Gatehouse, DG; George, E; Wootton, AK, )	0.4
" The proportion of sperm with abnormal tails also increased as DBCP dosage increased."	( Measurement of semen quality, fertility, and reproductive hormones to assess dibromochloropropane (DBCP) effects in live rabbits. Foote, RH; Schermerhorn, EC; Simkin, ME, 1986)	0.27
"This study was designed to evaluate new protocols proposed for use as an initial screen or a dose-response test of an agent for adverse effects on male reproduction."	( Assessment of procedures for screening agents for effects on male reproduction: effects of dibromochloropropane (DBCP) on the rat. Amann, RP; Berndtson, WE, 1986)	0.27
" After dosing for an interval at least equal to six times the duration of one cycle of the seminiferous epithelium, sperm from ejaculated semen or the cauda epididymidis can be evaluated for normalcy of morphology or function and should be used for artificial insemination of females to critically evaluate fertility."	( Detection of alterations in testicular and epididymal function in laboratory animals. Amann, RP, 1986)	0.27
" Finally, a dose-response model suggested significant changes in sperm density at the short-term but more recently operated production site when more than 100 adjusted hours of exposure were exceeded, while the longer operated but longer closed facility demonstrated a significant impairment only when more than 1,000 adjusted hours of dibromochloropropane exposure were surpassed."	( Dibromochloropropane and its effect on testicular function in man. Joyner, RE; Lipshultz, LI; Milby, T; Ross, CE; Smith, R; Whorton, D, 1980)	0.26
" (2) Exposure paradigms: extrapolating dosing in animals to exposures in humans becomes complex."	( Reproductive toxicology: current and future directions. Hoyer, PB, 2001)	0.31
" However, since Inhibin B was only decreased at the end of the Dosing Phase and not at the Recovery Phase, when the onset of testicular pathology occurred, it is unclear if monitoring Inhibin B would provide sufficient advanced warning for the onset of testicular pathology."	( Assessment of inhibin B as a biomarker of testicular injury following administration of carbendazim, cetrorelix, or 1,2-dibromo-3-chloropropane in Wistar han rats. Her, LS; Knight, BL; Mineo, AM; Moffit, JS; Phillips, JA; Thibodeau, MS, 2013)	0.6

Class	Description
organochlorine compound	An organochlorine compound is a compound containing at least one carbon-chlorine bond.
[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]

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASE	Homo sapiens (human)	Potency	35.4813	0.0032	45.4673	12,589.2998	AID2517
aldehyde dehydrogenase 1 family, member A1	Homo sapiens (human)	Potency	39.8107	0.0112	12.4002	100.0000	AID1030
retinoic acid nuclear receptor alpha variant 1	Homo sapiens (human)	Potency	54.0951	0.0030	41.6115	22,387.1992	AID1159552
peroxisome proliferator activated receptor gamma	Homo sapiens (human)	Potency	50.1187	0.0010	19.4141	70.9645	AID588537
chromobox protein homolog 1	Homo sapiens (human)	Potency	89.1251	0.0060	26.1688	89.1251	AID540317
nuclear factor erythroid 2-related factor 2 isoform 1	Homo sapiens (human)	Potency	66.8242	0.0006	27.2152	1,122.0200	AID651741
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Assay ID	Title	Year	Journal	Article
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504810	Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID504812	Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	144 (67.61)	18.7374
1990's	46 (21.60)	18.2507
2000's	14 (6.57)	29.6817
2010's	7 (3.29)	24.3611
2020's	2 (0.94)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	28 (10.53%)	6.00%
Case Studies	1 (0.38%)	4.05%
Observational	0 (0.00%)	0.25%
Other	237 (89.10%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Classes	Roles
acetylcarnitine Acetylcarnitine: An acetic acid ester of CARNITINE that facilitates movement of ACETYL COA into the matrices of mammalian MITOCHONDRIA during the oxidation of FATTY ACIDS.	1.97	1	O-acylcarnitine	human 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.	1.99	1	chloroethanes	hepatotoxic agent; mutagen; non-polar solvent
aminolevulinic acid Aminolevulinic Acid: A compound produced from succinyl-CoA and GLYCINE as an intermediate in heme synthesis. It is used as a PHOTOCHEMOTHERAPY for actinic KERATOSIS.. 5-aminolevulinic acid : The simplest delta-amino acid in which the hydrogens at the gamma position are replaced by an oxo group. It is metabolised to protoporphyrin IX, a photoactive compound which accumulates in the skin. Used (in the form of the hydrochloride salt)in combination with blue light illumination for the treatment of minimally to moderately thick actinic keratosis of the face or scalp.	1.96	1	4-oxo monocarboxylic acid; amino acid zwitterion; delta-amino acid	antineoplastic agent; dermatologic drug; Escherichia coli metabolite; human metabolite; mouse metabolite; photosensitizing agent; plant metabolite; prodrug; Saccharomyces cerevisiae metabolite
benzene [no description available]	4.28	3	aromatic annulene; benzenes; volatile organic compound	carcinogenic agent; environmental contaminant; non-polar 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)	2.38	2	halide anion; monoatomic bromine
carbamates [no description available]	2.08	1	amino-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.	2.02	1	carbon 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
aminooxyacetic acid Aminooxyacetic Acid: A compound that inhibits aminobutyrate aminotransferase activity in vivo, thereby raising the level of gamma-aminobutyric acid in tissues.. (aminooxy)acetic acid : A member of the class of hydroxylamines that is acetic acid substituted at postion 2 by an aminooxy group. It is a compound which inhibits aminobutyrate aminotransferase activity in vivo, resulting in increased levels of gamma-aminobutyric acid in tissues.	1.97	1	amino acid; hydroxylamines; monocarboxylic acid	anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor; EC 4.2.1.22 (cystathionine beta-synthase) inhibitor; nootropic agent
chlordecone [no description available]	4.27	3	cyclic ketone; organochlorine compound	insecticide; persistent organic pollutant
formaldehyde paraform: polymerized formaldehyde; RN given refers to parent cpd; used in root canal therapy	1.96	1	aldehyde; one-carbon compound	allergen; carcinogenic agent; disinfectant; EC 3.5.1.4 (amidase) inhibitor; environmental contaminant; Escherichia coli metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
hydrogen Hydrogen: The first chemical element in the periodic table with atomic symbol H, and atomic number 1. Protium (atomic weight 1) is by far the most common hydrogen isotope. Hydrogen also exists as the stable isotope DEUTERIUM (atomic weight 2) and the radioactive isotope TRITIUM (atomic weight 3). Hydrogen forms into a diatomic molecule at room temperature and appears as a highly flammable colorless and odorless gas.. dihydrogen : An elemental molecule consisting of two hydrogens joined by a single bond.	2.03	1	elemental hydrogen; elemental molecule; gas molecular entity	antioxidant; electron donor; food packaging gas; fuel; human metabolite
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.	3.79	2	metal allergen; nickel group element atom	epitope; micronutrient
nitrates Nitrates: Inorganic or organic salts and esters of nitric acid. These compounds contain the NO3- radical.	2.4	2	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species
oxalic acid Oxalic Acid: A strong dicarboxylic acid occurring in many plants and vegetables. It is produced in the body by metabolism of glyoxylic acid or ascorbic acid. It is not metabolized but excreted in the urine. It is used as an analytical reagent and general reducing agent.. oxalic acid : An alpha,omega-dicarboxylic acid that is ethane substituted by carboxyl groups at positions 1 and 2.	7.36	2	alpha,omega-dicarboxylic acid	algal metabolite; human metabolite; plant metabolite
pentachlorophenol PENTA: structure given in first source	3.98	2	aromatic fungicide; chlorophenol; organochlorine pesticide; pentachlorobenzenes	human xenobiotic metabolite
phthalic acid phthalic acid: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7178. phthalic acid : A benzenedicarboxylic acid cosisting of two carboxy groups at ortho positions.	3.1	1	benzenedicarboxylic acid	human xenobiotic metabolite
1,2-dimethylhydrazine 1,2-Dimethylhydrazine: A DNA alkylating agent that has been shown to be a potent carcinogen and is widely used to induce colon tumors in experimental animals.. 1,2-dimethylhydrazine : A member of the class of hydrazines that is hydrazine in which one of the hydrogens attached to each nitrogen is replaced by a methyl group. A powerful DNA alkylating agent and carcinogen, it is used to induce colon cancer in laboratory rats and mice.	6.97	1	hydrazines	alkylating agent; carcinogenic agent
2,4,5-trichlorophenoxyacetic acid 2,4,5-Trichlorophenoxyacetic Acid: An herbicide with strong irritant properties. Use of this compound on rice fields, orchards, sugarcane, rangeland, and other noncrop sites was terminated by the EPA in 1985. (From Merck Index, 11th ed). (2,4,5-trichlorophenoxy)acetic acid : A chlorophenoxyacetic acid that is phenoxyacetic acid in which the ring hydrogens at postions 2, 4 and 5 are substituted by chlorines.	3.06	1	chlorophenoxyacetic acid; trichlorobenzene	defoliant; phenoxy herbicide; synthetic auxin
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.	3.06	1	chlorophenoxyacetic acid; dichlorobenzene	agrochemical; defoliant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; environmental contaminant; phenoxy herbicide; synthetic auxin
amitrole Amitrole: A non-selective post-emergence, translocated herbicide. According to the Seventh Annual Report on Carcinogens (PB95-109781, 1994) this substance may reasonably be anticipated to be a carcinogen. (From Merck Index, 12th ed) It is an irreversible inhibitor of CATALASE, and thus impairs activity of peroxisomes.. amitrole : A member of the class of triazoles that is 1H-1,2,4-triazole substituted by an amino group at position 3. Used to control annual grasses and aquatic weeds (but not on food crops because it causes cancer in laboratory animals). Its use within the EU was banned from September 2017 on the grounds of potential groundwater contamination and risks to aquatic life; there have also been concerns about its endocrine-disrupting properties.	3.06	1	aromatic amine; triazoles	carotenoid biosynthesis inhibitor; EC 1.11.1.6 (catalase) inhibitor; herbicide
3-aminobenzamide [no description available]	2.38	2	benzamides; substituted aniline	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
3-methylcholanthrene Methylcholanthrene: A carcinogen that is often used in experimental cancer studies.. 3-methylcholanthrene : A pentacyclic ortho- and peri-fused polycyclic arene consisting of a dihydrocyclopenta[ij]tetraphene ring system with a methyl substituent at the 3-position.	1.97	1	ortho- and peri-fused polycyclic arene	aryl hydrocarbon receptor agonist; carcinogenic agent
acetaminophen Acetaminophen: Analgesic antipyretic derivative of acetanilide. It has weak anti-inflammatory properties and is used as a common analgesic, but may cause liver, blood cell, and kidney damage.. paracetamol : A member of the class of phenols that is 4-aminophenol in which one of the hydrogens attached to the amino group has been replaced by an acetyl group.	3.06	1	acetamides; phenols	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; cyclooxygenase 3 inhibitor; environmental contaminant; ferroptosis inducer; geroprotector; hepatotoxic agent; human blood serum metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
p-aminohippuric acid p-Aminohippuric Acid: The glycine amide of 4-aminobenzoic acid. Its sodium salt is used as a diagnostic aid to measure effective renal plasma flow (ERPF) and excretory capacity.. p-aminohippurate : A hippurate that is the conjugate base of p-aminohippuric acid, arising from deprotonation of the carboxy group.. p-aminohippuric acid : An N-acylglycine that is the 4-amino derivative of hippuric acid; used as a diagnostic agent in the measurement of renal plasma flow.	1.96	1	N-acylglycine	Daphnia magna metabolite
coumaphos Coumaphos: A organothiophosphorus cholinesterase inhibitor that is used as an anthelmintic, insecticide, and as a nematocide.	1.97	1	organic thiophosphate; organochlorine compound; organothiophosphate insecticide	acaricide; agrochemical; antinematodal drug; avicide; EC 3.1.1.8 (cholinesterase) inhibitor
diazinon Diazinon: A cholinesterase inhibitor that is used as an organothiophosphorus insecticide.. diazinon : A member of the class of pyrimidines that is pyrimidine carrying an isopropyl group at position 2, a methyl group at position 6 and a (diethoxyphosphorothioyl)oxy group at position 4.	2.17	1	organic thiophosphate; pyrimidines	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; nematicide; xenobiotic
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.	1.99	1	bromohydrocarbon; bromomethanes	algal metabolite; marine metabolite
dichlorodiphenyl dichloroethylene Dichlorodiphenyl Dichloroethylene: An organochlorine pesticide, it is the ethylene metabolite of DDT.	1.97	1	chlorophenylethylene; monochlorobenzenes	human xenobiotic metabolite; persistent organic pollutant
ddt 1,1-bis(p-chlorophenyl)-2,2,2-trichloroethane: structure in first source	1.96	1	benzenoid aromatic compound; chlorophenylethane; monochlorobenzenes; organochlorine insecticide	bridged diphenyl acaricide; carcinogenic agent; endocrine disruptor; persistent organic pollutant
heptachlor Heptachlor: A man-made compound previously used to control termites and other insects. Even though production of heptachlor was phased out of use in the United States during the late 1980's it remains in soil and hazardous waste sites. It is clearly toxic to animals and humans but, the International Agency for Research on Cancer (IARC) has determined that heptachlor is not classifiable as to its carcinogenicity to humans. (From ATSDR Public Heath Statement, April 1989). heptachlor : A cyclodiene organochlorine insecticide that is 3a,4,7,7a-tetrahydro-1H-4,7-methanoindene substituted by chlorine atoms at positions 1, 4, 5, 6, 7, 8 and 8. Formerly used to kill termites, ants and other insects in agricultural and domestic situations.	1.99	1	cyclodiene organochlorine insecticide	agrochemical; antibacterial agent; antifungal agent; GABA-gated chloride channel antagonist; persistent organic pollutant
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.	3.06	1	bridged diphenyl fungicide; polyphenol; trichlorobenzene	acaricide; antibacterial agent; antifungal agrochemical; antiseptic drug
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.	1.95	1	diester; ethyl ester; organic thiophosphate
methyl methanesulfonate [no description available]	1.98	1	methanesulfonate ester	alkylating agent; apoptosis inducer; carcinogenic agent; genotoxin; mutagen
metoclopramide Metoclopramide: A dopamine D2 antagonist that is used as an antiemetic.. metoclopramide : A member of the class of benzamides resulting from the formal condensation of 4-amino-5-chloro-2-methoxybenzoic acid with the primary amino group of N,N-diethylethane-1,2-diamine.	6.96	1	benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound	antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic
pentobarbital Pentobarbital: A short-acting barbiturate that is effective as a sedative and hypnotic (but not as an anti-anxiety) agent and is usually given orally. It is prescribed more frequently for sleep induction than for sedation but, like similar agents, may lose its effectiveness by the second week of continued administration. (From AMA Drug Evaluations Annual, 1994, p236). pentobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and sec-pentyl groups.	1.96	1	barbiturates	GABAA receptor agonist
phenobarbital Phenobarbital: A barbituric acid derivative that acts as a nonselective central nervous system depressant. It potentiates GAMMA-AMINOBUTYRIC ACID action on GABA-A RECEPTORS, and modulates chloride currents through receptor channels. It also inhibits glutamate induced depolarizations.. phenobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and phenyl groups.	7.66	3	barbiturates	anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative
proadifen Proadifen: An inhibitor of drug metabolism and CYTOCHROME P-450 ENZYME SYSTEM activity.	1.96	1	diarylmethane
probenecid Probenecid: The prototypical uricosuric agent. It inhibits the renal excretion of organic anions and reduces tubular reabsorption of urate. Probenecid has also been used to treat patients with renal impairment, and, because it reduces the renal tubular excretion of other drugs, has been used as an adjunct to antibacterial therapy.. probenecid : A sulfonamide in which the nitrogen of 4-sulfamoylbenzoic acid is substituted with two propyl groups.	1.97	1	benzoic acids; sulfonamide	uricosuric drug
cephaloridine Cephaloridine: A cephalosporin antibiotic.. cefaloridine : A cephalosporin compound having pyridinium-1-ylmethyl and 2-thienylacetamido side-groups. A first-generation semisynthetic derivative of cephalosporin C.	3.06	1	beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative	antibacterial drug
piperonyl butoxide [no description available]	1.96	1	benzodioxoles	pesticide synergist
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.	9.83	6	chlorocarbon; chloromethanes	hepatotoxic agent; refrigerant
chlordan Chlordan: A highly poisonous organochlorine insecticide. The EPA has cancelled registrations of pesticides containing this compound with the exception of its use through subsurface ground insertion for termite control and the dipping of roots or tops of non-food plants. (From Merck Index, 11th ed)	1.99	1	cyclodiene organochlorine insecticide	GABA-gated chloride channel antagonist; persistent organic pollutant
2,3,4,6-tetrachlorophenol 2,3,4,6-tetrachlorophenol: RN given refers to parent cpd; see also record for tetrachlorophenol with locants for chloro groups not specified. 2,3,4,6-tetrachlorophenol : A tetrachlorophenol in which the chlorines are located at positions 2, 3, 4, and 6.	3.06	1	tetrachlorophenol	xenobiotic metabolite
methylene blue Methylene Blue: A compound consisting of dark green crystals or crystalline powder, having a bronze-like luster. Solutions in water or alcohol have a deep blue color. Methylene blue is used as a bacteriologic stain and as an indicator. It inhibits GUANYLATE CYCLASE, and has been used to treat cyanide poisoning and to lower levels of METHEMOGLOBIN.. methylene blue : An organic chloride salt having 3,7-bis(dimethylamino)phenothiazin-5-ium as the counterion. A commonly used dye that also exhibits antioxidant, antimalarial, antidepressant and cardioprotective properties.	2.03	1	organic chloride salt	acid-base indicator; antidepressant; antimalarial; antimicrobial agent; antioxidant; cardioprotective agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 4.6.1.2 (guanylate cyclase) inhibitor; fluorochrome; histological dye; neuroprotective agent; physical tracer
carbaryl Carbaryl: A carbamate insecticide and parasiticide. It is a potent anticholinesterase agent belonging to the carbamate group of reversible cholinesterase inhibitors. It has a particularly low toxicity from dermal absorption and is used for control of head lice in some countries.. carbaryl : A carbamate ester obtained by the formal condensation of 1-naphthol with methylcarbamic acid.	3.06	1	carbamate ester; naphthalenes	acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant growth retardant
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.	3.97	2	chloromethanes; one-carbon compound	carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant
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.	3.06	1	chloroethanes	polar solvent
propane Propane: A three carbon alkane with the formula H3CCH2CH3.	11.81	208	alkane; gas molecular entity	food propellant
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.	3.06	1	chloroethenes; gas molecular entity; monohaloethene	carcinogenic agent
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.	3.06	1	chloromethanes; volatile organic compound	carcinogenic agent; polar aprotic solvent; refrigerant
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.	4.26	3	one-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.	2.37	2	gas molecular entity; oxacycle; saturated organic heteromonocyclic parent	allergen; mouse metabolite; mutagen
2-bromopropane 2-bromopropane: used as a substitute for freon	3.54	2
1,1-difluoroethylene 1,1-difluoroethylene: structure	3.06	1	olefinic compound; organofluorine compound
fluorocarbon 22 [no description available]	1.96	1	hydrochlorofluorocarbon
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.	3.06	1	chloroethenes	inhalation anaesthetic; mouse metabolite
bisphenol a 4,4'-isopropylidene diphenol: stimulates proliferative responses and cytokine productions of murine spleen cells and thymus cells in vitro. bisphenol : By usage, the methylenediphenols, HOC6H4CH2C6H4OH, commonly p,p-methylenediphenol, and their substitution products (generally derived from condensation of two equivalent amounts of a phenol with an aldehyde or ketone). The term also includes analogues in the the methylene (or substituted methylene) group has been replaced by a heteroatom.. bisphenol A : A bisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups.	2.17	1	bisphenol	endocrine disruptor; environmental contaminant; xenobiotic; xenoestrogen
hexachlorobutadiene hexachlorobutadiene: a potent nephrotoxicant in rats; structure	3.76	3	organochlorine compound
1,2,3-trichloropropane [no description available]	2	1	organochlorine compound
1,3-dichloro-2-propanol 1,3-dichloro-2-propanol: RN given refers to cpd with specified locants. 1,3-dichloropropan-2-ol : A secondary alcohol that is isopropanol in which one hydrogen of each methyl group is substituted by a chlorine. A liquid at room temperature (melting point -4degreeC, boiling point 174degreeC at 760 mm Hg), it is used as a solvent for hard resins and nitrocellulose.	6.98	1	organochlorine compound; secondary alcohol	cross-linking reagent; protic solvent
alpha-chlorohydrin alpha-Chlorohydrin: A chlorinated PROPANEDIOL with antifertility activity in males used as a chemosterilant in rodents.. 3-chloropropane-1,2-diol : A chloropropane-1,2-diol that is propane-1,2-diol substituted by a chloro group at position 3.	2.66	3	chloropropane-1,2-diol
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.	3.22	6	epoxide; 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.	12.99	22	bromoalkane; bromohydrocarbon	algal metabolite; carcinogenic agent; fumigant; marine metabolite; mouse metabolite; mutagen
acrylonitrile [no description available]	6.95	1	aliphatic nitrile; volatile organic compound	antifungal agent; carcinogenic agent; fungal metabolite; mutagen; polar aprotic solvent
bromobenzene [no description available]	3.06	1	bromoarene; bromobenzenes; volatile organic compound	hepatotoxic agent; mouse metabolite; non-polar solvent
hexachlorobenzene Hexachlorobenzene: An agricultural fungicide and seed treatment agent.. hexachlorobenzene : A member of the class of chlorobenzenes that is benzene in which all of the hydrogens are replaced by chlorines. An agricultural fungicide introduced in the mid-1940s and formerly used as a seed treatment, its use has been banned since 1984 under the Stockholm Convention on Persistent Organic Pollutants.	1.96	1	aromatic fungicide; chlorobenzenes	antifungal agrochemical; carcinogenic agent; persistent organic pollutant
isoxazoles Isoxazoles: Azoles with an OXYGEN and a NITROGEN next to each other at the 1,2 positions, in contrast to OXAZOLES that have nitrogens at the 1,3 positions.. isoxazole : A monocyclic heteroarene with a structure consisting of a 5-membered ring containing three carbon atoms and an oxygen and nitrogen atom adjacent to each other. It is the parent of the class of isoxazoles.. isoxazoles : Oxazoles in which the N and O atoms are adjacent.	1.97	1	isoxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
oxazoles Oxazoles: Five-membered heterocyclic ring structures containing an oxygen in the 1-position and a nitrogen in the 3-position, in distinction from ISOXAZOLES where they are at the 1,2 positions.. 1,3-oxazole : A five-membered monocyclic heteroarene that is an analogue of cyclopentadiene with O in place of CH2 at position 1 and N in place of CH at position 3.. oxazole : An azole based on a five-membered heterocyclic aromatic skeleton containing one N and one O atom.	1.99	1	1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
triethylenephosphoramide Triethylenephosphoramide: An insect chemosterilant and an antineoplastic agent.	3.08	1	phosphoramide
methyl n-butyl ketone Methyl n-Butyl Ketone: An industrial solvent which causes nervous system degeneration. MBK is an acronym often used to refer to it.. hexanone : A ketone that is a hexane carrying an oxo substituent at unspecified position.	1.97	1	ketone
vinyl bromide vinyl bromide: structure	1.99	1	bromoalkene; monohaloethene
2,3-dichloro-1-propanol [no description available]	6.98	1
acetylcysteine N-acetyl-L-cysteine : An N-acetyl-L-amino acid that is the N-acetylated derivative of the natural amino acid L-cysteine.	6.98	1	acetylcysteine; 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
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.	3.08	1	N-nitrosoureas	alkylating agent; carcinogenic agent; mutagen; teratogenic agent
ethylnitrosourea Ethylnitrosourea: A nitrosourea compound with alkylating, carcinogenic, and mutagenic properties.. N-ethyl-N-nitrosourea : A member of the class of N-nitrosoureas that is urea in which one of the nitrogens is substituted by ethyl and nitroso groups.	1.96	1	N-nitrosoureas	alkylating agent; carcinogenic agent; genotoxin; mutagen
isopropylmethanesulfonate isopropylmethanesulfonate: RN given refers to unlabeled cpd	3.08	1
methionine sulfoximine methionine sulfoximine : A non-proteinogenic alpha-amino acid that is the sulfoximine derivative of methionine .	1.97	1	methionine derivative; non-proteinogenic alpha-amino acid; sulfoximide
buthionine sulfoximine Buthionine Sulfoximine: A synthetic amino acid that depletes glutathione by irreversibly inhibiting gamma-glutamylcysteine synthetase. Inhibition of this enzyme is a critical step in glutathione biosynthesis. It has been shown to inhibit the proliferative response in human T-lymphocytes and inhibit macrophage activation. (J Biol Chem 1995;270(33):1945-7). 2-amino-4-(S-butylsulfonimidoyl)butanoic acid : A non-proteinogenic alpha-amino acid that is homocysteine in which the thiol group carries an oxo, imino and butyl groups.. S-butyl-DL-homocysteine (S,R)-sulfoximine : A sulfoximide that is the sulfoximine derivative of an analogue of DL-methionine in which the S-methyl group is replaced by S-butyl.	1.97	1	diastereoisomeric mixture; homocysteines; non-proteinogenic alpha-amino acid; sulfoximide	EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer
maleic hydrazide Maleic Hydrazide: 1,2-Dihydro-3,6-pyridazinedione. A herbicide and plant growth regulator; also used to control suckering of tobacco. Its residue in food and tobacco is highly toxic, causing CNS disturbances and liver damage.	1.95	1	pyridazinone
manganese Manganese: A trace element with atomic symbol Mn, atomic number 25, and atomic weight 54.94. It is concentrated in cell mitochondria, mostly in the pituitary gland, liver, pancreas, kidney, and bone, influences the synthesis of mucopolysaccharides, stimulates hepatic synthesis of cholesterol and fatty acids, and is a cofactor in many enzymes, including arginase and alkaline phosphatase in the liver. (From AMA Drug Evaluations Annual 1992, p2035). manganese(4+) : A manganese cation that is monoatomic and has a formal charge of +4.	3.06	1	elemental manganese; manganese group element atom	Escherichia coli metabolite; micronutrient
mercury Mercury: A silver metallic element that exists as a liquid at room temperature. It has the atomic symbol Hg (from hydrargyrum, liquid silver), atomic number 80, and atomic weight 200.59. Mercury is used in many industrial applications and its salts have been employed therapeutically as purgatives, antisyphilitics, disinfectants, and astringents. It can be absorbed through the skin and mucous membranes which leads to MERCURY POISONING. Because of its toxicity, the clinical use of mercury and mercurials is diminishing.. mercury(0) : Elemental mercury of oxidation state zero.	2.02	1	elemental mercury; zinc group element atom	neurotoxin
cadmium Cadmium: An element with atomic symbol Cd, atomic number 48, and atomic weight 112.41. It is a metal and ingestion will lead to CADMIUM POISONING.. elemental cadmium : An element in the zinc group of the periodic table with atomic number 48, atomic mass 112, M.P. 321degreeC, and B.P. 765degreeC). An odourless, tasteless, and highly poisonous soft, ductile, lustrous metal with electropositive properties. It has eight stable isotopes: (106)Cd, (108)Cd,(110)Cd, (111)Cd, (112)Cd, (113)Cd, (114)Cd and (116)Cd, with (112)Cd and (114)Cd being the most common.	3.06	1	cadmium molecular entity; zinc group element atom
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.	2.03	1	chromium oxoanion; divalent inorganic anion	oxidising agent
deuterium Deuterium: The stable isotope of hydrogen. It has one neutron and one proton in the nucleus.	2.66	3	dihydrogen
chlorine Chlorine: An element with atomic symbol Cl, atomic number 17, and atomic weight 35, and member of the halogen family.	1.96	1	diatomic chlorine; gas molecular entity	bleaching agent
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..	2.66	3
carbendazim carbendazim: carcinogen when combined with sodium nitrite; principle metabolite of thiophanate methyl & benomyl; structure. carbendazim : A member of the class of benzimidazoles that is 2-aminobenzimidazole in which the primary amino group is substituted by a methoxycarbonyl group. A fungicide, carbendazim controls Ascomycetes, Fungi Imperfecti, and Basidiomycetes on a wide variety of crops, including bananas, cereals, cotton, fruits, grapes, mushrooms, ornamentals, peanuts, sugarbeet, soybeans, tobacco, and vegetables.	7.08	1	benzimidazole fungicide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester	antifungal agrochemical; antinematodal drug; metabolite; microtubule-destabilising agent
tetradecanoylphorbol acetate Tetradecanoylphorbol Acetate: A phorbol ester found in CROTON OIL with very effective tumor promoting activity. It stimulates the synthesis of both DNA and RNA.. phorbol ester : Esters of phorbol, originally found in croton oil (from Croton tiglium, of the family Euphorbiaceae). A number of phorbol esters possess activity as tumour promoters and activate the mechanisms associated with cell growth. Some of these are used in experiments as activators of protein kinase C.. phorbol 13-acetate 12-myristate : A phorbol ester that is phorbol in which the hydroxy groups at the cyclopropane ring juction (position 13) and the adjacent carbon (position 12) have been converted into the corresponding acetate and myristate esters. It is a major active constituent of the seed oil of Croton tiglium. It has been used as a tumour promoting agent for skin carcinogenesis in rodents and is associated with increased cell proliferation of malignant cells. However its function is controversial since a decrease in cell proliferation has also been observed in several cancer cell types.	1.98	1	acetate ester; diester; phorbol ester; tertiary alpha-hydroxy ketone; tetradecanoate ester	antineoplastic agent; apoptosis inducer; carcinogenic agent; mitogen; plant metabolite; protein kinase C agonist; reactive oxygen species generator
n-nitrosoheptamethyleneimine [no description available]	1.98	1	nitrosamine
tris(2,3-dibromopropyl)phosphate tris(2,3-dibromopropyl)phosphate: flame retardant	4.31	6	trialkyl phosphate
tetrachloroethylene Tetrachloroethylene: A chlorinated hydrocarbon used as an industrial solvent and cooling liquid in electrical transformers. It is a potential carcinogen.	3.06	1	chlorocarbon; chloroethenes	nephrotoxic agent
alkenes [no description available]	1.99	1
4-ipomeanol 4-ipomeanol: lung-toxic furanoterpenoid produced in moldy sweet potatoes in response to fungus infection; RN given refers to cpd without isomeric designation; structure	3.06	1	aromatic ketone
agent orange Agent Orange: A herbicide that contains equal parts of 2,4-dichlorophenoxyacetic acid (2,4-D) and 2,4,5-trichlorophenoxyacetic acid (2,4,5-T), as well as traces of the contaminant 2,3,7,8-tetrachlorodibenzo-p-dioxin.	3.06	1
vinclozolin vinclozolin : A racemate comprising equimolar amounts of (R)- and (S)-vinclozolin. A fungicide used mainly on oilseed rape, vines, fruit and vegetables to control Botrytis, Sclerotinia and Monilia spp.. 3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione : A member of the class of oxazolidinones that is 5-ethenyl-5-methyl-2,4-oxazolidinedione in which the imide hydrogen is replaced by a 3,5-dichlorophenyl group.	1.99	1	dicarboximide; dichlorobenzene; olefinic compound; oxazolidinone
3-chloro-4-(dichloromethyl)-5-hydroxy-2(5h)-furanone 3-chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone: structure given in first source	1.97	1	butenolide
dimethylhydrazines Dimethylhydrazines: Hydrazines substituted with two methyl groups in any position.	1.97	1
2-amino-3,4-dimethylimidazo(4,5-f)quinoline 2-amino-3,4-dimethylimidazo(4,5-f)quinoline: strong mutagens found in broiled food; structure given in first source	1.97	1	aminoquinoline
cobalt Cobalt: A trace element that is a component of vitamin B12. It has the atomic symbol Co, atomic number 27, and atomic weight 58.93. It is used in nuclear weapons, alloys, and pigments. Deficiency in animals leads to anemia; its excess in humans can lead to erythrocytosis.. cobalt(1+) : A monovalent inorganic cation obtained from cobalt.. cobalt atom : A cobalt group element atom that has atomic number 27.	3.79	2	cobalt group element atom; metal allergen	micronutrient
dibromopropane dibromopropane: see also record for 1,3-dibromopropane	6.98	1
lignin Lignin: The most abundant natural aromatic organic polymer found in all vascular plants. Lignin together with cellulose and hemicellulose are the major cell wall components of the fibers of all wood and grass species. Lignin is composed of coniferyl, p-coumaryl, and sinapyl alcohols in varying ratios in different plant species. (From Merck Index, 11th ed). lignin : A polyphenylpropanoid derived from three monolignol monomers: trans-p-coumaryl alcohol, coniferol and trans-sinapyl alcohol. There is extensive cross-linking and no defined primary structure.	2.03	1
cholic acid Cholic Acid: A major primary bile acid produced in the liver and usually conjugated with glycine or taurine. It facilitates fat absorption and cholesterol excretion.. cholic acid : A bile acid that is 5beta-cholan-24-oic acid bearing three alpha-hydroxy substituents at position 3, 7 and 12.	1.97	1	12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; bile acid; C24-steroid; trihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
acivicin [no description available]	1.97	1	isoxazoles; non-proteinogenic L-alpha-amino acid; organochlorine compound	antileishmanial agent; antimetabolite; antimicrobial agent; antineoplastic agent; EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor; glutamine antagonist; metabolite
stilbenes Stilbenes: Organic compounds that contain 1,2-diphenylethylene as a functional group.. trans-stilbene : The trans-isomer of stilbene.	1.96	1	stilbene
leuprolide Leuprolide: A potent synthetic long-acting agonist of GONADOTROPIN-RELEASING HORMONE that regulates the synthesis and release of pituitary gonadotropins, LUTEINIZING HORMONE and FOLLICLE STIMULATING HORMONE.. leuprolide : An oligopeptide comprising pyroglutamyl, histidyl, tryptophyl, seryl, tyrosyl, D-leucyl, leucyl, arginyl, and N-ethylprolinamide residues joined in sequence. It is a synthetic nonapeptide analogue of gonadotropin-releasing hormone, and is used as a subcutaneous hydrogel implant (particularly as the acetate salt) for the treatment of prostate cancer and for the suppression of gonadal sex hormone production in children with central precocious puberty.	2.01	1	oligopeptide	anti-estrogen; antineoplastic agent; gonadotropin releasing hormone agonist
nadp [no description available]	2.38	2
zineb Zineb: An agricultural fungicide of the dithiocarbamate class. It has relatively low toxicity and there is little evidence of human injury from exposure.. zineb : A polymeric complex of zinc with the ethylene bis(dithiocarbamate) anionic ligand. Formerly used as an agricultural fungicide for the control of downy mildews and rusts, its use is no longer permitted in the US or the EU.	1.95	1	dithiocarbamate salt; macromolecule; zinc coordination entity	antifungal agrochemical
diethyl maleate diethyl maleate : A maleate ester resulting from the formal condensation of both carboxy groups of maleic acid with ethanol. A colourless liquid at room temperature (m.p. -10degreeC) with boiling point 220degreeC at 1 atm., it is commonly used as a dienophile for Diels-Alder-type cycloaddition reactions in organic synthesis.	2.89	4	ethyl ester; maleate ester	glutathione depleting agent
genistein [no description available]	2.17	1	7-hydroxyisoflavones	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor
4,4'-diaminostilbene [no description available]	1.96	1
lead Lead: A soft, grayish metal with poisonous salts; atomic number 82, atomic weight 207.2, symbol Pb.	5.57	5	carbon group element atom; elemental lead; metal atom	neurotoxin
arsenic Arsenic: A shiny gray element with atomic symbol As, atomic number 33, and atomic weight 75. It occurs throughout the universe, mostly in the form of metallic arsenides. Most forms are toxic. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), arsenic and certain arsenic compounds have been listed as known carcinogens. (From Merck Index, 11th ed)	4.27	3	metalloid atom; pnictogen	micronutrient
boron Boron: A trace element with the atomic symbol B, atomic number 5, and atomic weight [10.806; 10.821]. Boron-10, an isotope of boron, is used as a neutron absorber in BORON NEUTRON CAPTURE THERAPY.	3.06	1	boron group element atom; metalloid atom; nonmetal atom	micronutrient
oxalates Oxalates: Derivatives of OXALIC ACID. Included under this heading are a broad variety of acid forms, salts, esters, and amides that are derived from the ethanedioic acid structure.	2.36	2
nad NAD(1-) : An anionic form of nicotinamide adenine dinucleotide arising from deprotonation of the two OH groups of the diphosphate moiety.	1.97	1	organophosphate oxoanion	cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite
cetrorelix cetrorelix: LHRH antagonist. cetrorelix : A synthetic ten-membered oligopeptide comprising N-acetyl-3-(naphthalen-2-yl)-D-alanyl, 4-chloro-D-phenylalanyl, 3-(pyridin-3-yl)-D-alanyl, L-seryl, L-tyrosyl, N(5)-carbamoyl-D-ornithyl, L-leucyl, L-arginyl, L-prolyl, and D-alaninamide residues coupled in sequence. A gonadotrophin-releasing hormone (GnRH) antagonist, it is used for treatment of infertility and of hormone-sensitive cancers of the prostate and breast.	7.08	1	oligopeptide	antineoplastic agent; GnRH antagonist
heme Heme: The color-furnishing portion of hemoglobin. It is found free in tissues and as the prosthetic group in many hemeproteins.. ferroheme : Any iron(II)--porphyrin coordination complex.. ferroheme b : Heme b in which the iron has oxidation state +2.. heme : A heme is any tetrapyrrolic chelate of iron.	2.36	2
phytoestrogens Phytoestrogens: Compounds derived from plants, primarily ISOFLAVONES that mimic or modulate endogenous estrogens, usually by binding to ESTROGEN RECEPTORS.	3.1	1
dinitrobenzenes Dinitrobenzenes: Benzene derivatives which are substituted with two nitro groups in the ortho, meta or para positions.	3.06	1

Condition	Relationship Strength	Studies
Innate Inflammatory Response [description not available]	2.05	1
Inflammation A pathological process characterized by injury or destruction of tissues caused by a variety of cytologic and chemical reactions. It is usually manifested by typical signs of pain, heat, redness, swelling, and loss of function.	2.05	1
Body Weight The mass or quantity of heaviness of an individual. It is expressed by units of pounds or kilograms.	3.84	12
Hypospermatogenesis [description not available]	4.04	15
Allergic Reaction [description not available]	2.02	1
Granulomatosis, Wegener's [description not available]	2.02	1
Hypersensitivity Altered reactivity to an antigen, which can result in pathologic reactions upon subsequent exposure to that particular antigen.	2.02	1
Granulomatosis with Polyangiitis A multisystemic disease of a complex genetic background. It is characterized by inflammation of the blood vessels (VASCULITIS) leading to damage in any number of organs. The common features include granulomatous inflammation of the RESPIRATORY TRACT and KIDNEYS. Most patients have measurable autoantibodies (ANTINEUTROPHIL CYTOPLASMIC ANTIBODIES) against MYELOBLASTIN.	2.02	1
Benign Neoplasms [description not available]	5.31	7
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.	5.31	7
Genetic Non-Disjunction [description not available]	1.95	1
Sterility, Male [description not available]	6.15	23
Diseases, Occupational [description not available]	6.71	32
Infertility, Male The inability of the male to effect FERTILIZATION of an OVUM after a specified period of unprotected intercourse. Male sterility is permanent infertility.	6.15	23
Adenoma, Basal Cell [description not available]	1.95	1
Carcinoma, Anaplastic [description not available]	1.95	1
Adenocarcinoma, Alveolar [description not available]	1.95	1
Carcinoma, Papillary A malignant neoplasm characterized by the formation of numerous, irregular, finger-like projections of fibrous stroma that is covered with a surface layer of neoplastic epithelial cells. (Stedman, 25th ed)	1.95	1
Carcinoma, Epidermoid [description not available]	2.36	2
Cancer of Lung [description not available]	1.95	1
Experimental Neoplasms [description not available]	4.13	6
Adenoma A benign epithelial tumor with a glandular organization.	1.95	1
Carcinoma A malignant neoplasm made up of epithelial cells tending to infiltrate the surrounding tissues and give rise to metastases. It is a histological type of neoplasm and not a synonym for cancer.	1.95	1
Adenocarcinoma, Bronchiolo-Alveolar A carcinoma derived from epithelium of terminal bronchioles, in which the neoplastic tissue extends along the alveolar walls and grows in small masses within the alveoli. Involvement may be uniformly diffuse and massive, or nodular, or lobular. The neoplastic cells are cuboidal or columnar and form papillary structures. Mucin may be demonstrated in some of the cells and in the material in the alveoli, which also includes denuded cells. Metastases in regional lymph nodes, and in even more distant sites, are known to occur, but are infrequent. (From Stedman, 25th ed)	1.95	1
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)	2.36	2
Lung Neoplasms Tumors or cancer of the LUNG.	1.95	1
Respiratory Tract Neoplasms New abnormal growth of tissue in the RESPIRATORY SYSTEM.	1.96	1
Pregnancy The status during which female mammals carry their developing young (EMBRYOS or FETUSES) in utero before birth, beginning from FERTILIZATION to BIRTH.	5.79	22
Acute Liver Injury, Drug-Induced [description not available]	3.79	4
Chemical and Drug Induced Liver Injury A spectrum of clinical liver diseases ranging from mild biochemical abnormalities to ACUTE LIVER FAILURE, caused by drugs, drug metabolites, herbal and dietary supplements and chemicals from the environment.	3.79	4
Kidney Diseases Pathological processes of the KIDNEY or its component tissues.	3.98	5
Reproductive Sterility [description not available]	5.07	7
Infertility A reduced or absent capacity to reproduce.	5.07	7
Abortion, Tubal [description not available]	2.36	2
Impotence [description not available]	1.96	1
Abortion, Spontaneous Expulsion of the product of FERTILIZATION before completing the term of GESTATION and without deliberate interference.	2.36	2
Erectile Dysfunction The inability in the male to have a PENILE ERECTION due to psychological or organ dysfunction.	1.96	1
Delayed Effects, Prenatal Exposure [description not available]	2.87	1
Anesthesia A state characterized by loss of feeling or sensation. This depression of nerve function is usually the result of pharmacologic action and is induced to allow performance of surgery or other painful procedures.	1.96	1
Ischemia A hypoperfusion of the BLOOD through an organ or tissue caused by a PATHOLOGIC CONSTRICTION or obstruction of its BLOOD VESSELS, or an absence of BLOOD CIRCULATION.	1.96	1
Chromosomal Translocation [description not available]	2.37	2
Chromosome Deletion Actual loss of portion of a chromosome.	1.96	1
Agricultural Worker Disease [description not available]	4.27	7
Fetal Death Death of the developing young in utero. BIRTH of a dead FETUS is STILLBIRTH.	2.37	2
Acute Kidney Tubular Necrosis [description not available]	2.37	2
Atrophy Decrease in the size of a cell, tissue, organ, or multiple organs, associated with a variety of pathological conditions such as abnormal cellular changes, ischemia, malnutrition, or hormonal changes.	7.66	3
Kidney Tubular Necrosis, Acute Acute kidney failure resulting from destruction of EPITHELIAL CELLS of the KIDNEY TUBULES. It is commonly attributed to exposure to toxic agents or renal ISCHEMIA following severe TRAUMA.	2.37	2
Necrosis The death of cells in an organ or tissue due to disease, injury or failure of the blood supply.	3.58	9
Metastase [description not available]	1.95	1
Cancer of Nose [description not available]	2.36	2
Neoplasm Metastasis The transfer of a neoplasm from one organ or part of the body to another remote from the primary site.	1.95	1
Adenocarcinoma, Basal Cell [description not available]	1.95	1
Cystadenoma A benign neoplasm derived from glandular epithelium, in which cystic accumulations of retained secretions are formed. In some instances, considerable portions of the neoplasm, or even the entire mass, may be cystic. (Stedman, 25th ed)	1.95	1
Adenocarcinoma A malignant epithelial tumor with a glandular organization.	1.95	1
Testicular Diseases Pathological processes of the TESTIS.	2.9	1
Breast Cancer [description not available]	1.99	1
Hormone-Dependent Neoplasms [description not available]	1.99	1
Breast Neoplasms Tumors or cancer of the human BREAST.	1.99	1
Abnormalities, Sex Chromosome [description not available]	1.95	1
Aging The gradual irreversible changes in structure and function of an organism that occur as a result of the passage of time.	2.65	3
Cancer of Liver [description not available]	1.97	1
Liver Neoplasms Tumors or cancer of the LIVER.	1.97	1
Abnormalities, Autosome [description not available]	2.89	1
Acute Kidney Failure [description not available]	1.97	1
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.	1.97	1
Diseases of Endocrine System [description not available]	1.97	1
Endocrine System Diseases Pathological processes of the ENDOCRINE GLANDS, and diseases resulting from abnormal level of available HORMONES.	1.97	1
Birth Weight The mass or quantity of heaviness of an individual at BIRTH. It is expressed by units of pounds or kilograms.	1.97	1
Abnormalities, Congenital [description not available]	1.97	1
Complications, Labor [description not available]	1.97	1
Complications, Pregnancy [description not available]	1.97	1
Leucocythaemia [description not available]	3.29	2
Cancer of Stomach [description not available]	1.97	1
Leukemia A progressive, malignant disease of the blood-forming organs, characterized by distorted proliferation and development of leukocytes and their precursors in the blood and bone marrow. Leukemias were originally termed acute or chronic based on life expectancy but now are classified according to cellular maturity. Acute leukemias consist of predominately immature cells; chronic leukemias are composed of more mature cells. (From The Merck Manual, 2006)	3.29	2
Stomach Neoplasms Tumors or cancer of the STOMACH.	1.97	1
Poisoning, Lead [description not available]	1.97	1
Lead Poisoning Poisoning that results from chronic or acute ingestion, injection, inhalation, or skin absorption of LEAD or lead compounds.	1.97	1
Organophosphorus Poisoning [description not available]	2.88	1
Nervous System Disorders [description not available]	2.88	1
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.	2.88	1
Organophosphate Poisoning Poisoning due to exposure to ORGANOPHOSPHORUS COMPOUNDS, such as ORGANOPHOSPHATES; ORGANOTHIOPHOSPHATES; and ORGANOTHIOPHOSPHONATES.	2.88	1
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.	3.29	2
Varicocele A condition characterized by the dilated tortuous veins of the SPERMATIC CORD with a marked left-sided predominance. Adverse effect on male fertility occurs when varicocele leads to an increased scrotal (and testicular) temperature and reduced testicular volume.	1.96	1
Liver Dysfunction [description not available]	1.96	1
Liver Diseases Pathological processes of the LIVER.	1.96	1

1,2-dibromo-3-chloropropane

Description

Cross-References

Synonyms (101)

Research Excerpts

Toxicity

Dosage Studied

Drug Classes (1)

Protein Targets (6)

Potency Measurements

Bioassays (13)

Research

Studies (213)

Market Indicators

Research Demand Index: 33.51

Study Types