| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
ethylene chlorohydrin
Ethylene Chlorohydrin: Used as a solvent, in the manufacture of insecticides, and for treating sweet potatoes before planting. May cause nausea, vomiting, pains in head and chest, stupefaction. Irritates mucous membranes and causes kidney and liver degeneration.. chloroethanol : An organochlorine compound that is ethanol substituted by at least one chloro group. | 1.98 | 1 | 0 | chloroethanol | xenobiotic metabolite |
benzoic acid
Benzoic Acid: A fungistatic compound that is widely used as a food preservative. It is conjugated to GLYCINE in the liver and excreted as hippuric acid.. benzoic acid : A compound comprising a benzene ring core carrying a carboxylic acid substituent.. aromatic carboxylic acid : Any carboxylic acid in which the carboxy group is directly bonded to an aromatic ring. | 2.03 | 1 | 0 | benzoic acids | algal metabolite;
antimicrobial food preservative;
drug allergen;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
human xenobiotic metabolite;
plant metabolite |
chlordecone
[no description available] | 2.05 | 1 | 0 | cyclic ketone;
organochlorine compound | insecticide;
persistent organic pollutant |
dimethyl sulfoxide
Dimethyl Sulfoxide: A highly polar organic liquid, that is used widely as a chemical solvent. Because of its ability to penetrate biological membranes, it is used as a vehicle for topical application of pharmaceuticals. It is also used to protect tissue during CRYOPRESERVATION. Dimethyl sulfoxide shows a range of pharmacological activity including analgesia and anti-inflammation.. dimethyl sulfoxide : A 2-carbon sulfoxide in which the sulfur atom has two methyl substituents. | 2.08 | 1 | 0 | sulfoxide;
volatile organic compound | alkylating agent;
antidote;
Escherichia coli metabolite;
geroprotector;
MRI contrast agent;
non-narcotic analgesic;
polar aprotic solvent;
radical scavenger |
hexachlorocyclohexane
Lindane: An organochlorine insecticide made up of greater than 99% gamma-Hexachlorocyclohexane. It has been used as a pediculicide and scabicide, and shown to cause cancer.. beta-hexachlorocyclohexane : The beta-isomer of hexachlorocyclohexane. | 1.99 | 1 | 0 | chlorocyclohexane | |
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. | 7.38 | 2 | 0 | alkyl alcohol;
one-carbon compound;
primary alcohol;
volatile organic compound | amphiprotic solvent;
Escherichia coli metabolite;
fuel;
human metabolite;
mouse metabolite;
Mycoplasma genitalium 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. | 2.08 | 1 | 0 | 4-nitrophenols | human xenobiotic metabolite;
mouse metabolite |
phenol
[no description available] | 7.44 | 2 | 0 | phenols | antiseptic drug;
disinfectant;
human xenobiotic metabolite;
mouse metabolite |
toluene
methylbenzene : Any alkylbenzene that is benzene substituted with one or more methyl groups. | 1.95 | 1 | 0 | methylbenzene;
toluenes;
volatile organic compound | cholinergic antagonist;
fuel additive;
neurotoxin;
non-polar solvent |
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. | 1.98 | 1 | 0 | chlorophenoxyacetic acid;
dichlorobenzene | agrochemical;
defoliant;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
environmental contaminant;
phenoxy herbicide;
synthetic auxin |
2-aminofluorene
[no description available] | 7.39 | 2 | 0 | | |
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. | 2.4 | 2 | 0 | ortho- and peri-fused polycyclic arene | aryl hydrocarbon receptor agonist;
carcinogenic agent |
phenytoin
[no description available] | 2.05 | 1 | 0 | imidazolidine-2,4-dione | anticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent |
oxyquinoline
Oxyquinoline: An antiseptic with mild fungistatic, bacteriostatic, anthelmintic, and amebicidal action. It is also used as a reagent and metal chelator, as a carrier for radio-indium for diagnostic purposes, and its halogenated derivatives are used in addition as topical anti-infective agents and oral antiamebics.. quinolin-8-ol : A monohydroxyquinoline that is quinoline substituted by a hydroxy group at position 8. Its fungicidal properties are used for the control of grey mould on vines and tomatoes. | 1.98 | 1 | 0 | monohydroxyquinoline | antibacterial agent;
antifungal agrochemical;
antiseptic drug;
iron chelator |
benzo(a)pyrene
Benzo(a)pyrene: A potent mutagen and carcinogen. It is a public health concern because of its possible effects on industrial workers, as an environmental pollutant, an as a component of tobacco smoke.. benzo[a]pyrene : An ortho- and peri-fused polycyclic arene consisting of five fused benzene rings. | 2.05 | 1 | 0 | ortho- and peri-fused polycyclic arene | carcinogenic agent;
mouse metabolite |
beta-naphthoflavone
beta-Naphthoflavone: A polyaromatic hydrocarbon inducer of P4501A1 and P4501A2 cytochromes. (Proc Soc Exp Biol Med 1994 Dec:207(3):302-308). beta-naphthoflavone : An extended flavonoid resulting from the formal fusion of a benzene ring with the f side of flavone. | 1.96 | 1 | 0 | extended flavonoid;
naphtho-gamma-pyrone;
organic heterotricyclic compound | aryl hydrocarbon receptor agonist |
chloral hydrate
[no description available] | 7.04 | 1 | 0 | aldehyde hydrate;
ethanediol;
organochlorine compound | general anaesthetic;
mouse metabolite;
sedative;
xenobiotic |
dichlorodiphenyl dichloroethylene
Dichlorodiphenyl Dichloroethylene: An organochlorine pesticide, it is the ethylene metabolite of DDT. | 2.05 | 1 | 0 | chlorophenylethylene;
monochlorobenzenes | human xenobiotic metabolite;
persistent organic pollutant |
methyl methanesulfonate
[no description available] | 2.08 | 1 | 0 | methanesulfonate ester | alkylating agent;
apoptosis inducer;
carcinogenic agent;
genotoxin;
mutagen |
4-dichlorobenzene
dichlorobenzene : Any member of the class of chlorobenzenes carrying two chloro groups at unspecified positions.. 1,4-dichlorobenzene : A dichlorobenzene carrying chloro groups at positions 1 and 4. | 2.42 | 2 | 0 | dichlorobenzene | insecticide |
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. | 2.66 | 3 | 0 | barbiturates | anticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative |
sulfasalazine
Sulfasalazine: A drug that is used in the management of inflammatory bowel diseases. Its activity is generally considered to lie in its metabolic breakdown product, 5-aminosalicylic acid (see MESALAMINE) released in the colon. (From Martindale, The Extra Pharmacopoeia, 30th ed, p907). sulfasalazine : An azobenzene consisting of diphenyldiazene having a carboxy substituent at the 4-position, a hydroxy substituent at the 3-position and a 2-pyridylaminosulphonyl substituent at the 4'-position. | 2.46 | 2 | 0 | | |
sulfisoxazole
Sulfisoxazole: A short-acting sulfonamide antibacterial with activity against a wide range of gram- negative and gram-positive organisms.. sulfisoxazole : A sulfonamide antibacterial with an oxazole substituent. It has antibiotic activity against a wide range of gram-negative and gram-positive organisms. | 2.05 | 1 | 0 | isoxazoles;
sulfonamide antibiotic;
sulfonamide | antibacterial drug;
drug allergen |
trifluralin
Trifluralin: A microtubule-disrupting pre-emergence herbicide.. trifluralin : A substituted aniline that is N,N-dipropylaniline substituted by a nitro groups at positions 2 and 6 and a trifluoromethyl group at position 4. It is an agrochemical used as a pre-emergence herbicide. | 2.47 | 2 | 0 | (trifluoromethyl)benzenes;
C-nitro compound;
substituted aniline | agrochemical;
environmental contaminant;
herbicide;
xenobiotic |
mitomycin
Mitomycin: An antineoplastic antibiotic produced by Streptomyces caespitosus. It is one of the bi- or tri-functional ALKYLATING AGENTS causing cross-linking of DNA and inhibition of DNA synthesis.. mitomycin : A family of aziridine-containing natural products isolated from Streptomyces caespitosus or Streptomyces lavendulae. | 1.98 | 1 | 0 | mitomycin | alkylating agent;
antineoplastic agent |
thymidine
[no description available] | 1.97 | 1 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite |
2-acetylaminofluorene
2-Acetylaminofluorene: A hepatic carcinogen whose mechanism of activation involves N-hydroxylation to the aryl hydroxamic acid followed by enzymatic sulfonation to sulfoxyfluorenylacetamide. It is used to study the carcinogenicity and mutagenicity of aromatic amines. | 2.05 | 1 | 0 | 2-acetamidofluorenes | antimitotic;
carcinogenic agent;
epitope;
mutagen |
diethylnitrosamine
Diethylnitrosamine: A nitrosamine derivative with alkylating, carcinogenic, and mutagenic properties.. N-nitrosodiethylamine : A nitrosamine that is N-ethylethanamine substituted by a nitroso group at the N-atom. | 7.39 | 2 | 0 | nitrosamine | carcinogenic agent;
hepatotoxic agent;
mutagen |
4-nitroquinoline-1-oxide
4-nitroquinoline N-oxide : A quinoline N-oxide carrying a nitro substituent at position 4. | 2.08 | 1 | 0 | C-nitro compound;
quinoline N-oxide | carcinogenic agent |
allyl isothiocyanate
allyl isothiocyanate: used in the manufacture of flavors, war gases; medical use as a counterirritant; structure. allyl isothiocyanate : An isothiocyanate with the formula CH2=CHCH2N=C=S. A colorless oil with boiling point 152degreeC, it is responsible for the pungent taste of mustard, horseradish, and wasabi. | 1.98 | 1 | 0 | alkenyl isothiocyanate;
isothiocyanate | antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
lachrymator;
metabolite |
uridine
[no description available] | 2.02 | 1 | 0 | uridines | drug metabolite;
fundamental metabolite;
human metabolite |
bromodeoxyuridine
Bromodeoxyuridine: A nucleoside that substitutes for thymidine in DNA and thus acts as an antimetabolite. It causes breaks in chromosomes and has been proposed as an antiviral and antineoplastic agent. It has been given orphan drug status for use in the treatment of primary brain tumors. | 1.99 | 1 | 0 | pyrimidine 2'-deoxyribonucleoside | antimetabolite;
antineoplastic agent |
p-aminoazobenzene
p-Aminoazobenzene: Used in the form of its salts as a dye and as an intermediate in manufacture of Acid Yellow, diazo dyes, and indulines.. 4-(phenylazo)aniline : Azobenzene substituted at one of the 4-positions by an amino group. It has a role as a dye and an allergen. | 1.99 | 1 | 0 | | |
p-dimethylaminoazobenzene
p-Dimethylaminoazobenzene: A reagent used mainly to induce experimental liver cancer. According to the Fourth Annual Report on Carcinogens (NTP 85-002, p. 89) published in 1985, this compound may reasonably be anticipated to be a carcinogen. (Merck, 11th ed) | 1.96 | 1 | 0 | azobenzenes | |
methacholine chloride
Methacholine Chloride: A quaternary ammonium parasympathomimetic agent with the muscarinic actions of ACETYLCHOLINE. It is hydrolyzed by ACETYLCHOLINESTERASE at a considerably slower rate than ACETYLCHOLINE and is more resistant to hydrolysis by nonspecific CHOLINESTERASES so that its actions are more prolonged. It is used as a parasympathomimetic bronchoconstrictor agent and as a diagnostic aid for bronchial asthma. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1116) | 2.39 | 2 | 0 | quaternary ammonium salt | |
aniline
[no description available] | 8.51 | 8 | 0 | anilines;
primary arylamine | |
dimethylnitrosamine
Dimethylnitrosamine: A nitrosamine derivative with alkylating, carcinogenic, and mutagenic properties. It causes serious liver damage and is a hepatocarcinogen in rodents. | 1.98 | 1 | 0 | nitrosamine | geroprotector;
mutagen |
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. | 2.05 | 1 | 0 | chloromethanes;
one-carbon compound | carcinogenic agent;
central nervous system drug;
inhalation anaesthetic;
non-polar solvent;
refrigerant |
hexachloroethane
[no description available] | 2.05 | 1 | 0 | chlorocarbon;
chloroethanes | carcinogenic agent;
refrigerant |
cytarabine
[no description available] | 1.98 | 1 | 0 | beta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside | antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent |
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. | 2.05 | 1 | 0 | L-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 |
perthane
perthane: structure | 2.05 | 1 | 0 | | |
isoleucine
Isoleucine: An essential branched-chain aliphatic amino acid found in many proteins. It is an isomer of LEUCINE. It is important in hemoglobin synthesis and regulation of blood sugar and energy levels.. isoleucine : A 2-amino-3-methylpentanoic acid having either (2R,3R)- or (2S,3S)-configuration.. L-isoleucine : The L-enantiomer of isoleucine. | 2.05 | 1 | 0 | aspartate family amino acid;
isoleucine;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid | algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite |
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. | 2.05 | 1 | 0 | chloroethanes | antipruritic drug;
inhalation anaesthetic;
local anaesthetic |
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. | 2.05 | 1 | 0 | chloromethanes;
volatile organic compound | carcinogenic agent;
polar aprotic solvent;
refrigerant |
bromodichloromethane
bromodichloromethane: RN given refers to parent cpd. bromodichloromethane : A halomethane that is dichloromethane in which oneof the hydrogens has been replaced by a bromine atom. It occurs as a contaminant in drinking water. | 2.05 | 1 | 0 | halomethane | environmental contaminant;
reagent |
pentachloroethane
[no description available] | 2.05 | 1 | 0 | chloroethanes | non-polar solvent |
isoprene
isoprene: used in manufacture of ''synthetic'' rubber, butyl rubber; copolymer in production of elastomers; structure. isoprene : A hemiterpene with the formula CH2=C(CH3)CH=CH2; the monomer of natural rubber and a common structure motif to the isoprenoids, a large class of other naturally occurring compounds. | 1.96 | 1 | 0 | alkadiene;
hemiterpene;
volatile organic compound | plant metabolite |
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. | 2.05 | 1 | 0 | chloroethanes | |
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. | 2.05 | 1 | 0 | chloroethenes | inhalation anaesthetic;
mouse metabolite |
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. | 2.05 | 1 | 0 | chloroethanes | |
1-amino-2,4-dibromoanthraquinone
1-amino-2,4-dibromoanthraquinone: intermediate in the production of dyes | 2.05 | 1 | 0 | anthraquinone | |
rotenone
Derris: A plant genus of the family FABACEAE. The root is a source of rotenoids (ROTENONE) and flavonoids. Some species of Pongamia have been reclassified to this genus and some to MILLETTIA. Some species of Deguelia have been reclassified to this genus.. rotenoid : Members of the class of tetrahydrochromenochromene that consists of a cis-fused tetrahydrochromeno[3,4-b]chromene skeleton and its substituted derivatives. The term was originally restricted to natural products, but is now also used to describe semi-synthetic and fully synthetic compounds. | 2.06 | 1 | 0 | organic heteropentacyclic compound;
rotenones | antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin |
1-nitronaphthalene
1-nitronaphthalene: RN given refers to cpd with locant for nitro moiety in 1 position. 1-nitronaphthalene : A mononitronaphthalene substituted by a nitro group at position 1.. mononitronaphthalene : A nitronaphthalene carrying a single nitro group at unspecified position.. nitronaphthalene : A nitroarene that is naphthalene substituted by at least one nitro group. | 2.03 | 1 | 0 | mononitronaphthalene | environmental contaminant;
mouse metabolite |
2-aminodiphenyl
aminobiphenyl : Any member of the class of biphenyls in which the biphenyl skeleton is substituted by at least one amino group. | 2.38 | 2 | 0 | | |
2-phenylphenol
2-phenylphenol: RN given refers to parent cpd; structure. biphenyl-2-ol : A member of the class of hydroxybiphenyls that is biphenyl substituted by a hydroxy group at position 2. It is generally used as a post-harvest fungicide for citrus fruits. | 2.11 | 1 | 0 | hydroxybiphenyls | antifungal agrochemical;
environmental food contaminant |
michler's ketone
[no description available] | 2.05 | 1 | 0 | benzophenones | |
2,6-diisocyanatotoluene
2,6-diisocyanatotoluene: RN given refers to parent cpd. toluene 2,6-diisocyanate : A toluene meta-diisocyanate in which the isocyanato groups are at positions 2 and 6 relative to the methyl group on the benzene ring. | 3.25 | 6 | 0 | toluene meta-diisocyanate | allergen;
hapten |
2-naphthylamine
2-Naphthylamine: A naphthalene derivative with carcinogenic action.. 2-naphthylamine : A naphthylamine carrying the amino group at position 2. | 3.99 | 4 | 0 | naphthylamine | carcinogenic agent |
3,3'-dichlorobenzidine
3,3'-Dichlorobenzidine: A material used in the manufacture of azo dyes that is toxic to skin and carcinogenic in several species. | 1.96 | 1 | 0 | biphenyls;
monochlorobenzenes;
organochlorine compound | |
4-biphenylamine
4-biphenylamine: used in detection of sulfates, & as a carcinogen in cancer research; RN given refers to parent cpd; structure. biphenyl-4-amine : An aminobiphenyl that is biphenyl substituted by an amino group at position 4. | 3.47 | 2 | 0 | aminobiphenyl | carcinogenic agent |
benzidine
benzidine: RN given refers to parent cpd. benzidine : A member of the class of biphenyls that is 1,1'-biphenyl in which the hydrogen at the para-position of each phenyl group has been replaced by an amino group. | 2.38 | 2 | 0 | biphenyls;
substituted aniline | carcinogenic agent |
4-nitrobiphenyl
4-nitrobiphenyl: structure given in first source | 1.96 | 1 | 0 | biphenyls | |
cdec
CDEC: structure | 2.05 | 1 | 0 | thiocarbonyl compound | |
2-toluidine
2-toluidine: RN given refers to parent cpd. o-toluidine : An aminotoluene in which the amino substituent is ortho to the methyl group. | 2.08 | 1 | 0 | aminotoluene | carcinogenic agent |
2,5-diaminotoluene
2,5-diaminotoluene: RN given refers to parent cpd. 2-methyl-1,4-phenylenediamine : A diamine in which the two amino groups are substituted into toluene at the 2- and 5-positions. | 2.88 | 4 | 0 | diamine | allergen |
4-chloro-1,2-diaminobenzene
4-chloro-1,2-diaminobenzene: RN given refers to parent cpd | 2.42 | 2 | 0 | monochlorobenzenes | |
styrene oxide
styrene oxide: structure. styrene oxide : An epoxide that is oxirane in which one of the hydrogens has been replaced by a phenyl group. | 1.99 | 1 | 0 | epoxide | human xenobiotic metabolite |
1,2,3-trichloropropane
[no description available] | 2.05 | 1 | 0 | organochlorine compound | |
5-nitro-2-toluidine
5-nitro-2-toluidine: structure given in first source; RN given refers to parent cpd. 5-nitro-o-toluidine : A C-nitro compound in which the nitro compound is meta to the amino group and para to the methyl group of o-toluidine. | 2.05 | 1 | 0 | C-nitro compound | |
5-nitro-2-methoxyaniline
5-nitro-2-methoxyaniline: RN given refers to parent cpd | 2.05 | 1 | 0 | 4-nitroanisoles;
substituted aniline | |
methylenebis(chloroaniline)
Methylenebis(chloroaniline): Aromatic diamine used in the plastics industry as curing agent for epoxy resins and urethane rubbers. It causes bladder, liver, lung, and other neoplasms.. 4,4'-methylene-bis-(2-chloroaniline) : A chloroaniline that consists of two 2-chloroaniline units joined by a methylene bridge. | 3.46 | 2 | 0 | chloroaniline | metabolite |
4,4'-diaminodiphenylmethane
4,4'-diaminodiphenylmethane: RN given refers to parent cpd; structure. 4,4'-diaminodiphenylmethane : An aromatic amine that is diphenylmethane substituted at the 4-position of each benzene ring by an amino group. | 2.96 | 4 | 0 | aromatic amine | allergen;
carcinogenic agent |
di-(4-aminophenyl)ether
di-(4-aminophenyl)ether: structure | 2.05 | 1 | 0 | aromatic ether | |
4-chloroaniline
4-chloroaniline: RN given refers to parent cpd; structure. 4-chloroaniline : A chloroaniline in which the chloro atom is para to the aniline amino group. | 1.98 | 1 | 0 | chloroaniline;
monochlorobenzenes | |
4-phenylenediamine
4-phenylenediamine: agent hair dye responsible for contact dermatitis; RN given refers to parent cpd. 1,4-phenylenediamine : A phenylenediamine in which the amino functions are at positions 1 and 4 of the benzene nucleus. | 2.5 | 2 | 0 | phenylenediamine | allergen;
dye;
hapten;
reagent |
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. | 1.98 | 1 | 0 | bromoalkane;
bromohydrocarbon | algal metabolite;
carcinogenic agent;
fumigant;
marine metabolite;
mouse metabolite;
mutagen |
1,3-butadiene
buta-1,3-diene : A butadiene with unsaturation at positions 1 and 3. | 2.05 | 1 | 0 | butadiene | carcinogenic agent;
mutagen |
3-phenylenediamine
1,3-phenylenediamine : A phenylenediamine taht is benzene substituted at positions 1 and 3 with amino functions. | 1.96 | 1 | 0 | phenylenediamine | |
melamine
melamine: RN given refers to parent cpd; structure. melamine : A trimer of cyanamide, with a 1,3,5-triazine skeleton. | 2.05 | 1 | 0 | triamino-1,3,5-triazine | xenobiotic metabolite |
cyclohexanone
[no description available] | 2.08 | 1 | 0 | cyclohexanones | human xenobiotic metabolite |
tetrahydrofuran
oxolane : A cyclic ether that is butane in which one hydrogen from each methyl group is substituted by an oxygen. | 2.05 | 1 | 0 | cyclic ether;
oxolanes;
saturated organic heteromonocyclic parent;
volatile organic compound | polar aprotic solvent |
thiophenes
Thiophenes: A monocyclic heteroarene furan in which the oxygen atom is replaced by a sulfur.. thiophenes : Compounds containing at least one thiophene ring. | 1.97 | 1 | 0 | mancude organic heteromonocyclic parent;
monocyclic heteroarene;
thiophenes;
volatile organic compound | non-polar solvent |
diethanolamine
diethanolamine: RN given refers to parent cpd. diethanolamine : A member of the class of ethanolamines that is ethanolamine having a N-hydroxyethyl substituent. | 2.02 | 1 | 0 | ethanolamines | human xenobiotic metabolite |
tetrafluoroethylene
tetrafluoroethylene: RN given refers to parent cpd; structure | 2.05 | 1 | 0 | fluorocarbon | |
2-aminoanthraquinone
[no description available] | 2.05 | 1 | 0 | anthraquinone | |
4-amino-2-nitrotoluene
4-amino-2-nitrotoluene: RN given refers to parent cpd | 2.73 | 3 | 0 | C-nitro compound | |
dianisidine
Dianisidine: Highly toxic compound which can cause skin irritation and sensitization. It is used in manufacture of azo dyes. | 2.39 | 2 | 0 | biphenyls | |
2-tolidine
2-tolidine: RN given refers to parent cpd; structure | 1.96 | 1 | 0 | biphenyls | |
cresidine
cresidine: structure | 2.05 | 1 | 0 | methoxybenzenes | |
2,4-dinitrotoluene
2,4-dinitrotoluene : A dinitrotoluene in which the methyl group is ortho to one of the nitro groups and para to the other. It is the most common isomer of dinitrotoluene. | 3.7 | 10 | 0 | dinitrotoluene | |
cyclonite
cyclonite: explosive & convulsant; structure. 1,3,5-trinitro-1,3,5-triazinane : An N-nitro compound that is 1,3,5-triazinane in which all three of the hydrogens attached to the nitrogens have been replaced by nitro groups. It is widely used in both industrial and military explosives. | 2.08 | 1 | 0 | 1,3,5-triazinanes;
N-nitro compound | explosive |
amiben
Amiben: RN given refers to parent cpd | 2.05 | 1 | 0 | chlorobenzoic acid | |
1-naphthylamine
1-Naphthylamine: A suspected industrial carcinogen (and listed as such by OSHA). Its N-hydroxy metabolite is strongly carcinogenic and mutagenic.. naphthylamine : A primary arylamine that is naphthalene substituted by an amino group at unspecified position.. 1-naphthylamine : A naphthylamine that is naphthalene substituted by an amino group at position 1. | 3.46 | 2 | 0 | naphthylamine | human xenobiotic metabolite |
2,4,5-trimethylaniline
2,4,5-trimethylaniline: RN given refers to parent cpd | 2.05 | 1 | 0 | substituted aniline | |
4,4'-thiodianiline
4,4'-thiodianiline: structure | 2.05 | 1 | 0 | substituted aniline | |
benzyl acetate
benzyl acetate : The acetate ester of benzyl alcohol. | 1.98 | 1 | 0 | acetate ester;
benzyl ester | metabolite |
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. | 2.02 | 1 | 0 | bridged compound;
diamine;
saturated organic heterobicyclic parent;
tertiary amino compound | antioxidant;
catalyst;
reagent |
thiazoles
[no description available] | 2 | 1 | 0 | 1,3-thiazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene | |
perfluorobutyric acid
perfluorobutyric acid: ion pairing reagent; RN given refers to parent cpd. perfluorobutyric acid : A monocarboxylic acid that is perfluorinated butyric acid. | 1.98 | 1 | 0 | fluoroalkanoic acid | chromatographic reagent;
environmental contaminant;
xenobiotic |
limestone
Calcium Carbonate: Carbonic acid calcium salt (CaCO3). An odorless, tasteless powder or crystal that occurs in nature. It is used therapeutically as a phosphate buffer in hemodialysis patients and as a calcium supplement.. calcium carbonate : A calcium salt with formula CCaO3. | 2.03 | 1 | 0 | calcium salt;
carbonate salt;
inorganic calcium salt;
one-carbon compound | antacid;
fertilizer;
food colouring;
food firming agent |
3,4-toluenediamine
3,4-toluenediamine: structure | 1.96 | 1 | 0 | | |
chlorobenzilate
chlorobenzilate: structure | 2.05 | 1 | 0 | diarylmethane | |
neutral red
Neutral Red: A vital dye used as an indicator and biological stain. Various adverse effects have been observed in biological systems.. neutral red : A hydrochloride obtained by combining the free base of neutral red with one equivalent of hydrochloric acid. Neutral red acts as a pH indicator, changing from red to yellow between pH 6.8 and 8.0. | 2.08 | 1 | 0 | hydrochloride | acid-base indicator;
dye;
two-colour indicator |
2-nitronaphthalene
2-nitronaphthalene : A mononitronaphthalene carrying a nitro group at position 2. | 2.03 | 1 | 0 | mononitronaphthalene | |
toluene 2,4-diisocyanate
Toluene 2,4-Diisocyanate: Skin irritant and allergen used in the manufacture of polyurethane foams and other elastomers.. toluene 2,4-diisocyanate : A toluene meta-diisocyanate in which the isocyanato groups are at positions 2 and 4 relative to the methyl group on the benzene ring. | 5.61 | 24 | 0 | toluene meta-diisocyanate | allergen;
hapten |
5-nitroacenaphthene
[no description available] | 2.05 | 1 | 0 | nitronaphthalene | |
2,6-dinitrotoluene
2,6-dinitrotoluene: RN given refers to cpd with specified locants for nitrogen moieties. 2,6-dinitrotoluene : A dinitrotoluene carrying nitro substituents at positions 2 and 6. | 2.38 | 2 | 0 | dinitrotoluene | genotoxin |
4-methoxy-3-phenylenediamine
4-methoxy-3-phenylenediamine: RN given refers to parent cpd | 3.97 | 4 | 0 | methoxybenzenes | |
acetylcysteine
N-acetyl-L-cysteine : An N-acetyl-L-amino acid that is the N-acetylated derivative of the natural amino acid L-cysteine. | 1.99 | 1 | 0 | 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 |
1,1,1,2-tetrachloroethane
1,1,1,2-tetrachloroethane: see also record for tetrachloroethane | 2.05 | 1 | 0 | chloroethanes | |
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. | 2.08 | 1 | 0 | N-nitrosoureas | alkylating agent;
carcinogenic agent;
genotoxin;
mutagen |
2,6-diaminotoluene
2,6-diaminotoluene: RN given refers to parent cpd. 2,6-diaminotoluene : A diamine that is toluene in which both of the hydrogens ortho- to the methyl group are replaced by amino groups. | 6.08 | 39 | 0 | diamine;
primary amino compound | mutagen |
4,4'-methylene bis(2-methylaniline)
4,4'-methylene bis(2-methylaniline): structure | 3.05 | 1 | 0 | diarylmethane | |
n-nitrosodiethanolamine
[no description available] | 1.96 | 1 | 0 | nitroso compound | |
2,3,7,8-tetrachlorodibenzodioxine
Tetrachlorodibenzodioxin: A mixture of isomers. | 2.05 | 1 | 0 | polychlorinated dibenzodioxine | |
nitrofen
nitrofen: structure | 2.05 | 1 | 0 | organic molecular entity | EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide |
1,6-diaminohexane
1,6-diaminohexane: Russian drug; RN given refers to parent cpd; structure. hexane-1,6-diamine : A C6 alkane-alpha,omega-diamine. | 2.01 | 1 | 0 | alkane-alpha,omega-diamine | human xenobiotic metabolite |
1,5-naphthalenediamine
1,5-diaminonaphthalene: structure in first source. naphthalene-1,5-diamine : A naphthalenediamine compound having amino substituents in the 1- and 5-positions. | 2.05 | 1 | 0 | naphthalenediamine | carcinogenic agent |
benzophenoneidum
Benzophenoneidum: An aniline dye used as a disinfectant and an antiseptic agent. It is weakly fluorescing and binds specifically to certain proteins.. auramine O : A hydrochloride obtained by combining 4,4'-carbonimidoylbis(N,N-dimethylaniline) with one molar equivalent of hydrogen chloride. A fluorescent stain for demonstrating acid fast organisms in a method similar to the Ziehl Neelsen. It also can be used to make a fluorescent Schiff reagent. | 1.99 | 1 | 0 | hydrochloride | fluorochrome;
histological dye |
n-methylamino-2-nitro-4-n',n'-bis(2-hydroxyethyl)aminobenzene
N-methylamino-2-nitro-4-N',N'-bis(2-hydroxyethyl)aminobenzene: structure | 2.05 | 1 | 0 | C-nitro compound | |
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. | 2.38 | 2 | 0 | cadmium molecular entity;
zinc group element atom | |
camptothecin
NSC 100880: carboxylate (opened lactone) form of camptothecin; RN refers to (S)-isomer; structure given in first source | 2.06 | 1 | 0 | delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol | antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite |
cadmium sulfate
cadmium sulfate: RN given refers to cpd with MF of Cd-H2SO4 | 2.38 | 2 | 0 | cadmium salt | |
tiletamine hydrochloride
Cyclohexanones: Cyclohexane ring substituted by one or more ketones in any position.. cyclohexanones : Any alicyclic ketone based on a cyclohexane skeleton and its substituted derivatives thereof. | 2.08 | 1 | 0 | | |
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. | 1.97 | 1 | 0 | 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 |
1,2-diphenylhydrazine
[no description available] | 2.05 | 1 | 0 | | |
1,4-dioxane
1,4-dioxane: dehydrating agent; polar solvent miscible both with water & most organic solvents. dioxane : Any member of the class of dioxanes that is a cyclohexane in which two carbon atoms are replaced by oxygen atoms.. 1,4-dioxane : A dioxane with oxygen atoms at positions 1 and 4. | 2.39 | 2 | 0 | dioxane;
volatile organic compound | carcinogenic agent;
metabolite;
NMR chemical shift reference compound;
non-polar solvent |
chloroprene
Chloroprene: Toxic, possibly carcinogenic, monomer of neoprene, a synthetic rubber; causes damage to skin, lungs, CNS, kidneys, liver, blood cells and fetuses. Synonym: 2-chlorobutadiene. | 2.05 | 1 | 0 | chloroolefin | |
tetrachloroethylene
Tetrachloroethylene: A chlorinated hydrocarbon used as an industrial solvent and cooling liquid in electrical transformers. It is a potential carcinogen. | 2.05 | 1 | 0 | chlorocarbon;
chloroethenes | nephrotoxic agent |
phorbol 12,13-dibutyrate
Phorbol 12,13-Dibutyrate: A phorbol ester found in CROTON OIL which, in addition to being a potent skin tumor promoter, is also an effective activator of calcium-activated, phospholipid-dependent protein kinase (protein kinase C). Due to its activation of this enzyme, phorbol 12,13-dibutyrate profoundly affects many different biological systems. | 1.97 | 1 | 0 | butyrate ester;
phorbol ester;
tertiary alpha-hydroxy ketone | |
chlorodiphenyl (54% chlorine)
Chlorodiphenyl (54% Chlorine): A mixture of polychlorinated biphenyls that induces hepatic microsomal UDP-glucuronyl transferase activity towards thyroxine.. Aroclor 1254 : A mixture of polychlorobiphenyls of unspecified composition, containing 54% chlorine (X = Cl or H). | 1.99 | 1 | 0 | | |
irinotecan
[no description available] | 2.06 | 1 | 0 | carbamate ester;
delta-lactone;
N-acylpiperidine;
pyranoindolizinoquinoline;
ring assembly;
tertiary alcohol;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug |
thiazolyl blue
thiazolyl blue: RN & II refers to bromide. 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide : The bromide salt of 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium. | 2 | 1 | 0 | organic bromide salt | colorimetric reagent;
dye |
cyanates
Cyanates: Organic salts of cyanic acid containing the -OCN radical.. cyanates : Salts and esters of cyanic acid, HOC#N; compounds carrying the cyanate functional group -O-C#N.. isocyanates : Organonitrogen compounds that are derivatives of isocyanic acid; compounds containing the isocyanate functional group -N=C=O (as opposed to the cyanate group, -O-C#N). | 1.96 | 1 | 0 | | |
3,4-dihydro-3,4-dibromo-6-bromomethylcoumarin
3,4-dihydro-3,4-dibromo-6-bromomethylcoumarin: structure given in first source | 2.06 | 1 | 0 | | |
(+)-limonene
(4R)-limonene : An optically active form of limonene having (4R)-configuration. | 2.05 | 1 | 0 | limonene | plant metabolite |
arachidonic acid
icosa-5,8,11,14-tetraenoic acid : Any icosatetraenoic acid with the double bonds at positions 5, 8, 11 and 14.. arachidonate : A long-chain fatty acid anion resulting from the removal of a proton from the carboxy group of arachidonic acid. | 1.99 | 1 | 0 | icosa-5,8,11,14-tetraenoic acid;
long-chain fatty acid;
omega-6 fatty acid | Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
human metabolite;
mouse metabolite |
sodium benzoate
Sodium Benzoate: The sodium salt of BENZOIC ACID. It is used as an antifungal preservative in pharmaceutical preparations and foods. It may also be used as a test for liver function.. sodium benzoate : An organic sodium salt resulting from the replacement of the proton from the carboxy group of benzoic acid by a sodium ion. | 2.11 | 1 | 0 | organic sodium salt | algal metabolite;
antimicrobial food preservative;
drug allergen;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
human xenobiotic metabolite;
plant metabolite |
diisononyl phthalate
diisononyl phthalate: dielectric (electric insulating) fluid. diisononyl phthalate : The diisononyl ester of benzene-1,2-dicarboxylic acid. | 2.03 | 1 | 0 | diester;
phthalate ester | plasticiser |
thioguanine anhydrous
Thioguanine: An antineoplastic compound which also has antimetabolite action. The drug is used in the therapy of acute leukemia.. tioguanine : A 2-aminopurine that is the 6-thiono derivative of 2-amino-1,9-dihydro-6H-purine. Incorporates into DNA and inhibits synthesis. Used in the treatment of leukaemia. | 1.99 | 1 | 0 | 2-aminopurines | anticoronaviral agent;
antimetabolite;
antineoplastic agent |
ethylenethiourea
Ethylenethiourea: A degradation product of ethylenebis(dithiocarbamate) fungicides. It has been found to be carcinogenic and to cause THYROID hyperplasia. | 2.42 | 2 | 0 | imidazolidines | |
thioacetamide
Thioacetamide: A crystalline compound used as a laboratory reagent in place of HYDROGEN SULFIDE. It is a potent hepatocarcinogen.. thioacetamide : A thiocarboxamide consiting of acetamide having the oxygen replaced by sulfur. | 2.11 | 1 | 0 | thiocarboxamide | hepatotoxic agent |
2-nitro-4-phenylenediamine
2-nitro-4-phenylenediamine: 2-nitro-1,4-benzenediamine; RN given refers to parent cpd. 2-nitro-p-phenylenediamine : A primary amino compound that is p-phenylenediamine in which one of the hydrogens attached to the benzene ring is replaced by a nitro group. It is a cosmetic hair dye intermediate that is used in permanent hair colouring products (diluted 1:1 with an oxidising agent prior to application). | 2.37 | 2 | 0 | C-nitro compound;
primary amino compound | |
cinnamyl anthranilate
[no description available] | 2.05 | 1 | 0 | benzoate ester | |
lead
Lead: A soft, grayish metal with poisonous salts; atomic number 82, atomic weight 207.2, symbol Pb. | 2.03 | 1 | 0 | carbon group element atom;
elemental lead;
metal atom | neurotoxin |
warfarin
Warfarin: An anticoagulant that acts by inhibiting the synthesis of vitamin K-dependent coagulation factors. Warfarin is indicated for the prophylaxis and/or treatment of venous thrombosis and its extension, pulmonary embolism, and atrial fibrillation with embolization. It is also used as an adjunct in the prophylaxis of systemic embolism after myocardial infarction. Warfarin is also used as a rodenticide.. warfarin : A racemate comprising equal amounts of (R)- and (S)-warfarin. Extensively used as both an anticoagulant drug and as a pesticide against rats and mice.. 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one : A member of the class of coumarins that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenyl-3-oxo-1-butyl group. | 2.06 | 1 | 0 | benzenes;
hydroxycoumarin;
methyl ketone | |
nitrophenols
Nitrophenols: PHENOLS carrying nitro group substituents. | 2.08 | 1 | 0 | | |
aldrin
Aldrin: A highly poisonous substance that was formerly used as an insecticide. The manufacture and use has been discontinued in the U.S. (From Merck Index, 11th ed). aldrin : An organochlorine compound resulting from the Diels-Alder reaction of hexachlorocyclopentadiene with norbornadiene. A proinsecticide (by epoxidation of the non-chlorinated double bond to give dieldrin), it was widely used as an insecticide before being banned in the 1970s as a persistent organic pollutant. | 6.97 | 1 | 0 | | |
thiolactomycin
thiolactomycin: from actinomycetes; structure given in first source | 1.97 | 1 | 0 | | |
dinitrobenzenes
Dinitrobenzenes: Benzene derivatives which are substituted with two nitro groups in the ortho, meta or para positions. | 3.78 | 11 | 0 | | |
phosphorus radioisotopes
Phosphorus Radioisotopes: Unstable isotopes of phosphorus that decay or disintegrate emitting radiation. P atoms with atomic weights 28-34 except 31 are radioactive phosphorus isotopes. | 1.98 | 1 | 0 | | |