| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
ethylene dichloride
ethylene dichloride: RN given refers to 1,2-isomer; structure given in first source. 1,2-dichloroethane : A member of the class of chloroethanes substituted by two chloro groups at positions 1 and 2. | 3.76 | 3 | 0 | chloroethanes | hepatotoxic agent;
mutagen;
non-polar solvent |
acetaldehyde
Acetaldehyde: A colorless, flammable liquid used in the manufacture of acetic acid, perfumes, and flavors. It is also an intermediate in the metabolism of alcohol. It has a general narcotic action and also causes irritation of mucous membranes. Large doses may cause death from respiratory paralysis.. acetaldehyde : The aldehyde formed from acetic acid by reduction of the carboxy group. It is the most abundant carcinogen in tobacco smoke.. aldehyde : A compound RC(=O)H, in which a carbonyl group is bonded to one hydrogen atom and to one R group.. acetyl group : A group, formally derived from acetic acid by dehydroxylation, which is fundamental to the biochemistry of all forms of life. When bound to coenzyme A, it is central to the metabolism of carbohydrates and fats. | 1.96 | 1 | 0 | aldehyde | carcinogenic agent;
EC 3.5.1.4 (amidase) inhibitor;
electron acceptor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
mutagen;
oxidising agent;
Saccharomyces cerevisiae metabolite;
teratogenic agent |
carbon monoxide
Carbon Monoxide: Carbon monoxide (CO). A poisonous colorless, odorless, tasteless gas. It combines with hemoglobin to form carboxyhemoglobin, which has no oxygen carrying capacity. The resultant oxygen deprivation causes headache, dizziness, decreased pulse and respiratory rates, unconsciousness, and death. (From Merck Index, 11th ed). carbon monoxide : A one-carbon compound in which the carbon is joined only to a single oxygen. It is a colourless, odourless, tasteless, toxic gas. | 1.96 | 1 | 0 | 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 |
methane
Methane: The simplest saturated hydrocarbon. It is a colorless, flammable gas, slightly soluble in water. It is one of the chief constituents of natural gas and is formed in the decomposition of organic matter. (Grant & Hackh's Chemical Dictionary, 5th ed). methane : A one-carbon compound in which the carbon is attached by single bonds to four hydrogen atoms. It is a colourless, odourless, non-toxic but flammable gas (b.p. -161degreeC). | 2.25 | 1 | 0 | alkane;
gas molecular entity;
mononuclear parent hydride;
one-carbon compound | bacterial metabolite;
fossil fuel;
greenhouse gas |
chlordecone
[no description available] | 2.05 | 1 | 0 | cyclic ketone;
organochlorine compound | insecticide;
persistent organic pollutant |
chlorine
chloride : A halide anion formed when chlorine picks up an electron to form an an anion. | 2.92 | 4 | 0 | halide anion;
monoatomic chlorine | cofactor;
Escherichia coli metabolite;
human metabolite |
lactic acid
Lactic Acid: A normal intermediate in the fermentation (oxidation, metabolism) of sugar. The concentrated form is used internally to prevent gastrointestinal fermentation. (From Stedman, 26th ed). 2-hydroxypropanoic acid : A 2-hydroxy monocarboxylic acid that is propanoic acid in which one of the alpha-hydrogens is replaced by a hydroxy group. | 2.17 | 1 | 0 | 2-hydroxy monocarboxylic acid | algal metabolite;
Daphnia magna 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. | 2.17 | 1 | 0 | elemental hydrogen;
elemental molecule;
gas molecular entity | antioxidant;
electron donor;
food packaging gas;
fuel;
human metabolite |
racepinephrine
Racepinephrine: A racemic mixture of d-epinephrine and l-epinephrine.. 4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol : A catecholamine in which the aminoethyl side-chain is hydroxy-substituted at C-1 and methylated on nitrogen. | 2.6 | 1 | 0 | catecholamine | |
phenol
[no description available] | 2.13 | 1 | 0 | phenols | antiseptic drug;
disinfectant;
human xenobiotic metabolite;
mouse metabolite |
toluene
methylbenzene : Any alkylbenzene that is benzene substituted with one or more methyl groups. | 1.96 | 1 | 0 | methylbenzene;
toluenes;
volatile organic compound | cholinergic antagonist;
fuel additive;
neurotoxin;
non-polar solvent |
phenytoin
[no description available] | 2.05 | 1 | 0 | imidazolidine-2,4-dione | anticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent |
atrazine
[no description available] | 2.02 | 1 | 0 | chloro-1,3,5-triazine;
diamino-1,3,5-triazine | environmental contaminant;
herbicide;
xenobiotic |
camphor, (+-)-isomer
[no description available] | 2 | 1 | 0 | bornane monoterpenoid;
cyclic monoterpene ketone | plant metabolite |
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 |
ddt
1,1-bis(p-chlorophenyl)-2,2,2-trichloroethane: structure in first source | 1.96 | 1 | 0 | benzenoid aromatic compound;
chlorophenylethane;
monochlorobenzenes;
organochlorine insecticide | bridged diphenyl acaricide;
carcinogenic agent;
endocrine disruptor;
persistent organic pollutant |
diuron
Diuron: A pre-emergent herbicide.. diuron : A member of the class of 3-(3,4-substituted-phenyl)-1,1-dimethylureas that is urea in which both of the hydrogens attached to one nitrogen are substituted by methyl groups, and one of the hydrogens attached to the other nitrogen is substituted by a 3,4-dichlorophenyl group. | 2.02 | 1 | 0 | 3-(3,4-substituted-phenyl)-1,1-dimethylurea;
dichlorobenzene | environmental contaminant;
mitochondrial respiratory-chain inhibitor;
photosystem-II inhibitor;
urea herbicide;
xenobiotic |
oxazepam
Oxazepam: A benzodiazepine used in the treatment of anxiety, alcohol withdrawal, and insomnia.. oxazepam : A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one substituted by a chloro group at position 7, a hydroxy group at position 3 and phenyl group at position 5. | 3.12 | 1 | 0 | 1,4-benzodiazepinone;
organochlorine compound | anxiolytic drug;
environmental contaminant;
xenobiotic |
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. | 2.05 | 1 | 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. | 3.06 | 1 | 0 | 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 | 0 | diarylmethane | |
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. | 2.05 | 1 | 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 |
bromoform
bromoform: structure | 1.98 | 1 | 0 | bromohydrocarbon;
bromomethanes | |
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. | 2.05 | 1 | 0 | (trifluoromethyl)benzenes;
C-nitro compound;
substituted aniline | agrochemical;
environmental contaminant;
herbicide;
xenobiotic |
zinc chloride
zinc chloride: RN given refers to parent cpd. zinc dichloride : A compound of zinc and chloride ions in the ratio 1:2. It exists in four crystalline forms, in each of which the Zn(2+) ions are trigonal planar coordinated to four chloride ions. | 7.92 | 4 | 0 | inorganic chloride;
zinc molecular entity | astringent;
disinfectant;
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor;
Lewis acid |
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. | 1.99 | 1 | 0 | 2-acetamidofluorenes | antimitotic;
carcinogenic agent;
epitope;
mutagen |
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. | 2.86 | 4 | 0 | chlorocarbon;
chloromethanes | hepatotoxic agent;
refrigerant |
edetic acid
Edetic Acid: A chelating agent that sequesters a variety of polyvalent cations such as CALCIUM. It is used in pharmaceutical manufacturing and as a food additive. | 2.82 | 3 | 0 | ethylenediamine derivative;
polyamino carboxylic acid;
tetracarboxylic acid | anticoagulant;
antidote;
chelator;
copper chelator;
geroprotector |
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. | 2.71 | 3 | 0 | chloromethanes;
one-carbon compound | carcinogenic agent;
central nervous system drug;
inhalation anaesthetic;
non-polar solvent;
refrigerant |
sodium citrate, anhydrous
Sodium Citrate: Sodium salts of citric acid that are used as buffers and food preservatives. They are used medically as anticoagulants in stored blood, and for urine alkalization in the prevention of KIDNEY STONES.. sodium citrate : The trisodium salt of citric acid. | 2.41 | 1 | 0 | organic sodium salt | anticoagulant;
flavouring agent |
hexachloro-4-xylene
hexachloro-4-xylene: structure | 1.94 | 1 | 0 | | |
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. | 3.98 | 4 | 0 | chloroethanes | polar solvent |
perthane
perthane: structure | 2.05 | 1 | 0 | | |
ethane
Ethane: A two carbon alkane with the formula H3C-CH3.. ethane : An alkane comprising of two carbon atoms. | 9.04 | 82 | 1 | alkane;
gas molecular entity | plant metabolite;
refrigerant |
ethylene
Plastipore: high density polyethylene sponge biocompatible material; used as posts in dental bridges | 2.05 | 1 | 0 | alkene;
gas molecular entity | plant hormone;
refrigerant |
acetylene
[no description available] | 2.31 | 1 | 0 | alkyne;
gas molecular entity;
terminal acetylenic compound | |
bromoethane
bromoethane : A bromoalkane that is ethane carrying a bromo substituent. It is an alkylating agent used as a chemical intermediate in various organic syntheses. | 1.98 | 1 | 0 | bromoalkane;
bromohydrocarbon;
volatile organic compound | alkylating agent;
carcinogenic agent;
local anaesthetic;
refrigerant;
solvent |
bromochloromethane
bromochloromethane: inhibitor of ruminal methane production. bromochloromethane : A halomethane that is chloromethane in which one of the hydrogens has been replaced by a bromine atom. | 1.98 | 1 | 0 | halomethane | |
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. | 2.36 | 2 | 0 | chloroethanes | antipruritic drug;
inhalation anaesthetic;
local anaesthetic |
vinyl chloride
Vinyl Chloride: A gas that has been used as an aerosol propellant and is the starting material for polyvinyl resins. Toxicity studies have shown various adverse effects, particularly the occurrence of liver neoplasms.. chloroethene : A monohaloethene that is ethene in which one of the hydrogens has been replaced by a chloro group. | 2.04 | 1 | 0 | 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. | 2.41 | 2 | 0 | 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. | 2.06 | 1 | 0 | one-carbon compound;
organosulfur compound | |
bromodichloromethane
bromodichloromethane: RN given refers to parent cpd. bromodichloromethane : A halomethane that is dichloromethane in which oneof the hydrogens has been replaced by a bromine atom. It occurs as a contaminant in drinking water. | 2.41 | 2 | 0 | halomethane | environmental contaminant;
reagent |
1,1-dichloroethane
[no description available] | 1.98 | 1 | 0 | organochlorine compound | |
vinylidene chloride
vinylidene chloride: potent hepatotoxin. 1,1-dichloroethene : A member of the class of chloroethenes that is ethene in which both of the hydrogens attached to one of the carbons are replaced by chlorines. | 1.98 | 1 | 0 | chloroethenes | carcinogenic agent;
mouse metabolite;
mutagen |
bromotrichloromethane
Bromotrichloromethane: A potent liver poison. In rats, bromotrichloromethane produces about three times the degree of liver microsomal lipid peroxidation as does carbon tetrachloride. | 1.98 | 1 | 0 | | |
tert-butyl alcohol
tert-Butyl Alcohol: An isomer of butanol that contains a tertiary butyl group that consists of three methyl groups, each separately attached to a central (tertiary) carbon.. tert-butanol : A tertiary alcohol alcohol that is isobutane substituted by a hydroxy group at position 2. | 2.15 | 1 | 0 | tertiary alcohol | human xenobiotic metabolite |
trichlorofluoromethane
trichlorofluoromethane: refrigerant, aerosol propellant; RN given refers to parent cpd; structure. trichlorofluoromethane : A one-carbon compound that is methane in which the hydrogens have been replaced by three chlorine and one fluorine atom. | 1.98 | 1 | 0 | chlorofluorocarbon;
halomethane | environmental contaminant;
NMR chemical shift reference compound;
NMR solvent;
refrigerant |
pentachloroethane
[no description available] | 8.69 | 10 | 0 | chloroethanes | non-polar solvent |
trichloroacetic acid
Trichloroacetic Acid: A strong acid used as a protein precipitant in clinical chemistry and also as a caustic for removing warts.. trichloroacetic acid : A monocarboxylic acid that is acetic acid in which all three methyl hydrogens are substituted by chlorine. | 2.03 | 1 | 0 | monocarboxylic acid;
organochlorine compound | carcinogenic agent;
metabolite;
mouse metabolite |
propylene dichloride
propylene dichloride: Russian drug; structure. 1,2-dichloropropane : A chloroalkane that is propane in which a hydrogen from each of two adjacent carbons has been replaced by chlorines. | 1.98 | 1 | 0 | chloroalkane;
volatile organic compound | |
2,3-dichloro-1-propene
2,3-dichloro-1-propene: soil fumigant | 1.98 | 1 | 0 | | |
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. | 4 | 4 | 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. | 4.93 | 11 | 0 | chloroethenes | inhalation anaesthetic;
mouse metabolite |
dichloroacetaldehyde
[no description available] | 1.96 | 1 | 0 | organochlorine compound | |
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. | 4.34 | 6 | 0 | chloroethanes | |
1-amino-2,4-dibromoanthraquinone
1-amino-2,4-dibromoanthraquinone: intermediate in the production of dyes | 2.05 | 1 | 0 | anthraquinone | |
tetrahydrophthalimide
tetrahydrophthalimide: captan metabolite in fruit crops | 2.06 | 1 | 0 | | |
phthalimide
phthalimide: RN given refers to parent cpd. phthalimide : A dicarboximide that is 2,3-dihydro-1H-isoindole substituted by oxo groups at positions 1 and 3. | 2.06 | 1 | 0 | phthalimides | |
michler's ketone
[no description available] | 2.05 | 1 | 0 | benzophenones | |
phenothiazine
10H-phenothiazine : The 10H-tautomer of phenothiazine. | 6.92 | 1 | 0 | phenothiazine | ferroptosis inhibitor;
plant metabolite;
radical scavenger |
methyleugenol
methyleugenol: structure | 3.12 | 1 | 0 | phenylpropanoid | |
cdec
CDEC: structure | 2.05 | 1 | 0 | thiocarbonyl compound | |
2,4-diaminotoluene
2,4-diaminotoluene: RN given refers to unlabeled parent cpd; structure. 2,4-diaminotoluene : An aminotoluene that is para-toluidine with an additional amino group at position 2. | 2.05 | 1 | 0 | aminotoluene | metabolite |
4-chloro-1,2-diaminobenzene
4-chloro-1,2-diaminobenzene: RN given refers to parent cpd | 2.05 | 1 | 0 | monochlorobenzenes | |
1,2,3-trichloropropane
[no description available] | 2.41 | 2 | 0 | organochlorine compound | |
4,4'-thiobis(6-tert-butyl-3-cresol)
4,4'-thiobis(6-tert-butyl-3-cresol): structure given in first source | 3.12 | 1 | 0 | | |
nitrobenzene
nitrobenzene : A nitroarene consisting of benzene carrying a single nitro substituent. An industrial chemical used widely in the production of aniline. | 2.9 | 3 | 0 | nitroarene;
nitrobenzenes | |
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 | |
4-nitrobenzyl chloride
4-nitrobenzyl chloride: structure given in first source. p-nitrobenzyl chloride : A C-nitro compound that is nitrobenzene in which the hydrogen at position 4 is replaced by a chloromethyl group. | 1.96 | 1 | 0 | benzyl chlorides;
C-nitro compound | mutagen |
benzonitrile
benzonitrile : A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a phenyl group. | 2.06 | 1 | 0 | benzenes;
nitrile | |
di-(4-aminophenyl)ether
di-(4-aminophenyl)ether: structure | 2.05 | 1 | 0 | aromatic ether | |
1,3-butadiene
buta-1,3-diene : A butadiene with unsaturation at positions 1 and 3. | 2.05 | 1 | 0 | butadiene | carcinogenic agent;
mutagen |
1-bromo-2-chloroethane
1-bromo-2-chloroethane : A haloalkane that is bromoethane substituted by chlorine at position 2. | 1.98 | 1 | 0 | haloalkane;
organobromine compound;
organochlorine compound | mutagen |
2-methylpentane
Hexanes: Six-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives. Various polyneuropathies are caused by hexane poisoning. | 2.13 | 1 | 0 | alkane | |
chlorobenzene
[no description available] | 3.38 | 1 | 1 | monochlorobenzenes | solvent |
butyl bromide
[no description available] | 1.98 | 1 | 0 | | |
butyl chloride
butyl chloride: structure | 1.98 | 1 | 0 | | |
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 |
1-hexanol
1-hexanol: RN given refers to parent cpd. hexanol : A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of six carbon atoms.. hexan-1-ol : A primary alcohol that is hexane substituted by a hydroxy group at position 1. | 2.05 | 1 | 0 | hexanol;
primary alcohol | alarm pheromone;
antibacterial agent;
fragrance;
plant metabolite |
diethanolamine
diethanolamine: RN given refers to parent cpd. diethanolamine : A member of the class of ethanolamines that is ethanolamine having a N-hydroxyethyl substituent. | 3.12 | 1 | 0 | ethanolamines | human xenobiotic metabolite |
n-butoxyethanol
n-butoxyethanol: RN given refers to parent cpd; structure. 2-butoxyethanol : A primary alcohol that is ethanol in which one of the methyl hydrogens is replaced by a butoxy group. A high-boiling (171degreeC) colourless liquid, it is used as a solvent for paints and inks, as well as in some dry cleaning solutions. | 3.12 | 1 | 0 | glycol ether;
primary alcohol | protic solvent |
bis(2-chloroethoxy)methane
bis(2-chloroethoxy)methane: a solvent used in polysulfide elastomer production; structure in first source | 3.12 | 1 | 0 | | |
isobutylene
2-methylprop-1-ene : An alkene that is prop-1-ene substituted by a methyl group at position 2. | 3.12 | 1 | 0 | alkene;
gas molecular entity | |
tetrafluoroethylene
tetrafluoroethylene: RN given refers to parent cpd; structure | 2.05 | 1 | 0 | fluorocarbon | |
2-aminoanthraquinone
[no description available] | 2.05 | 1 | 0 | anthraquinone | |
trinitrotoluene
Trinitrotoluene: A 2,4,6-trinitrotoluene, which is an explosive chemical that can cause skin irritation and other toxic consequences.. 2,4,6-trinitrotoluene : A trinitrotoluene having the nitro groups at positions 2, 4 and 6. | 2.03 | 1 | 0 | trinitrotoluene | explosive |
dianisidine
Dianisidine: Highly toxic compound which can cause skin irritation and sensitization. It is used in manufacture of azo dyes. | 3.12 | 1 | 0 | biphenyls | |
cresidine
cresidine: structure | 2.05 | 1 | 0 | methoxybenzenes | |
captan
Captan: One of the phthalimide fungicides.. captan : A dicarboximide that is 3a,4,7,7a-tetrahydrophthalimide in which the hydrogen attached to the nitrogen is replaced by a trichloromethyl group. A non-systemic fungicide introduced in the 1950s, it is widely used for the control of fungal diseases in fruits, vegetables, and ornamental crops. | 2.06 | 1 | 0 | isoindoles;
organochlorine compound;
organosulfur compound;
phthalimide fungicide | antifungal agrochemical |
folpet
folpet : A member of the class of phthalimides that is phthalimide in which the hydrogen attached to the nitrogen is replaced by a trichloromethylthio group. An agricultural fungicide, it has been used to control mildew, leaf spot, and other diseases in crops sice the 1950s. | 2.06 | 1 | 0 | organochlorine compound;
organosulfur compound;
phthalimide fungicide | antifungal agrochemical |
amiben
Amiben: RN given refers to parent cpd | 2.05 | 1 | 0 | chlorobenzoic acid | |
1,3-diphenyl-1-triazene
1,3-diphenyl-1-triazene: structure in first source | 3.12 | 1 | 0 | | |
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 | |
1,3-dichloropropane
1,3-dichloropropane : A chloroalkane that is propane in which a hydrogen from each of the terminal methyl groups has been replaced by a chlorine. | 1.98 | 1 | 0 | chloroalkane;
chlorohydrocarbon | environmental contaminant;
nematicide |
emetine
Emetine: The principal alkaloid of ipecac, from the ground roots of Uragoga (or Cephaelis) ipecacuanha or U. acuminata, of the Rubiaceae. It is used as an amebicide in many different preparations and may cause serious cardiac, hepatic, or renal damage and violent diarrhea and vomiting. Emetine inhibits protein synthesis in EUKARYOTIC CELLS but not PROKARYOTIC CELLS.. emetine : A pyridoisoquinoline comprising emetam having methoxy substituents at the 6'-, 7'-, 10- and 11-positions. It is an antiprotozoal agent and emetic. It inhibits SARS-CoV2, Zika and Ebola virus replication and displays antimalarial, antineoplastic and antiamoebic properties. | 1.96 | 1 | 0 | isoquinoline alkaloid;
pyridoisoquinoline | antiamoebic agent;
anticoronaviral agent;
antiinfective agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
expectorant;
plant metabolite;
protein synthesis inhibitor |
chlorobenzilate
chlorobenzilate: structure | 2.05 | 1 | 0 | diarylmethane | |
1-chloro-2-methylpropene
[no description available] | 1.98 | 1 | 0 | organochlorine compound | |
1-chlorohexane
[no description available] | 1.98 | 1 | 0 | | |
3-chloro-2-methylprop-1-ene
[no description available] | 1.98 | 1 | 0 | organochlorine compound | |
2,2-dichloropropane
2,2-dichloropropane: a water pollutant | 1.98 | 1 | 0 | | |
5-nitroacenaphthene
[no description available] | 2.05 | 1 | 0 | nitronaphthalene | |
triphenylphosphine
triphenylphosphine: RN given refers to parent cpd. triphenylphosphine : A member of the class of tertiary phosphines that is phosphane in which the three hydrogens are replaced by phenyl groups. | 2.03 | 1 | 0 | benzenes;
tertiary phosphine | NMR chemical shift reference compound;
reducing agent |
1,1,1,2-tetrachloroethane
1,1,1,2-tetrachloroethane: see also record for tetrachloroethane | 3.78 | 3 | 0 | chloroethanes | |
sodium hydroxide
Sodium Hydroxide: A highly caustic substance that is used to neutralize acids and make sodium salts. (From Merck Index, 11th ed) | 2.17 | 1 | 0 | alkali metal hydroxide | |
zinc oxide
Zinc Oxide: A mild astringent and topical protectant with some antiseptic action. It is also used in bandages, pastes, ointments, dental cements, and as a sunblock. | 3.49 | 8 | 0 | zinc molecular entity | |
ferrous sulfide
ferrous sulfide: RN given refers to cpd with MF of Fe-S; mackinawite & troilite both have MF Fe-S | 2.01 | 1 | 0 | | |
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 |
butylate
butylate: RN in Chemline for carbamothioic-(14)C-labeled cpd: 61772-76-7 | 2.02 | 1 | 0 | tertiary amine | |
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 |
direct blue 15
direct blue 15: RN given refers to tetra-Na salt. Pontamine sky blue 5B : An organic sodium salt resulting from the formal condensation of Pontamine sky blue 5B (acid form) with four equivalents of sodium hydroxide. | 3.12 | 1 | 0 | | |
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 | |
c.i. acid red 114, disodium salt
C.I. Acid Red 114: source gives many trade names; structure in first source | 3.12 | 1 | 0 | | |
1-(2-methoxy-5-nitrophenylazo)-2-hydroxy-3-(3-nitrophenylcarbamoyl)naphthalene
[no description available] | 3.12 | 1 | 0 | | |
titanium
Titanium: A dark-gray, metallic element of widespread distribution but occurring in small amounts with atomic number, 22, atomic weight, 47.867 and symbol, Ti; specific gravity, 4.5; used for fixation of fractures. | 7.37 | 2 | 0 | titanium group element atom | |
titanium tetrachloride
titanium tetrachloride: RN given refers to TiCl4 | 1.96 | 1 | 0 | | |
phosphoric acid, trisodium salt
[no description available] | 2.41 | 1 | 0 | sodium phosphate | |
chlorine
Chlorine: An element with atomic symbol Cl, atomic number 17, and atomic weight 35, and member of the halogen family. | 2.71 | 3 | 0 | diatomic chlorine;
gas molecular entity | bleaching agent |
titanium dioxide
titanium dioxide: used medically as protectant against externally caused irritation & sunlight; high concentrations of dust may cause irritation to respiratory tract; RN given refers to titanium oxide (TiO2); structure. titanium dioxide : A titanium oxide with the formula TiO2. A naturally occurring oxide sourced from ilmenite, rutile and anatase, it has a wide range of applications. | 7.37 | 2 | 0 | titanium oxides | food colouring |
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. | 2.05 | 1 | 0 | dioxane;
volatile organic compound | carcinogenic agent;
metabolite;
NMR chemical shift reference compound;
non-polar solvent |
chlorodibromomethane
[no description available] | 1.98 | 1 | 0 | organochlorine compound | |
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. | 4.92 | 11 | 0 | chlorocarbon;
chloroethenes | nephrotoxic agent |
alkenes
[no description available] | 3.12 | 1 | 0 | | |
sodium persulfate
sodium persulfate: RN given refers to peroxydisulfuric acid, di-Na salt | 2.17 | 1 | 0 | | |
hydroxyl radical
Hydroxyl Radical: The univalent radical OH. Hydroxyl radical is a potent oxidizing agent. | 2.84 | 3 | 0 | oxygen hydride;
oxygen radical;
reactive oxygen species | |
peroxymonosulfate
peroxymonosulfate: oxidizing agent in prevention of tooth discoloration; RN given refers to ion(2-) | 2.15 | 1 | 0 | sulfur oxide;
sulfur oxoanion | |
fenton's reagent
Fenton's reagent: used for oxidizing sugars & alcohols | 7.75 | 3 | 0 | | |
permanganate
[no description available] | 2.13 | 1 | 0 | manganese oxoacid | |
(+)-limonene
(4R)-limonene : An optically active form of limonene having (4R)-configuration. | 2.05 | 1 | 0 | limonene | plant metabolite |
iron tetraphenylporphyrin
[no description available] | 1.96 | 1 | 0 | | |
ethylenethiourea
Ethylenethiourea: A degradation product of ethylenebis(dithiocarbamate) fungicides. It has been found to be carcinogenic and to cause THYROID hyperplasia. | 2.05 | 1 | 0 | imidazolidines | |
nadp
[no description available] | 1.99 | 1 | 0 | | |
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. | 2.17 | 1 | 0 | carbon group element atom;
elemental lead;
metal atom | neurotoxin |
sulfur
Sulfur: An element that is a member of the chalcogen family. It has an atomic symbol S, atomic number 16, and atomic weight [32.059; 32.076]. It is found in the amino acids cysteine and methionine. | 7.25 | 1 | 0 | chalcogen;
nonmetal atom | macronutrient |
potassium oxide
potassium oxide : A metal oxide with formula K2O. | 2.05 | 1 | 0 | metal oxide;
potassium salt | |
chlorophyll a
Chlorophyll: Porphyrin derivatives containing magnesium that act to convert light energy in photosynthetic organisms.. chlorophyll : A family of magnesium porphyrins, defined by the presence of a fifth ring beyond the four pyrrole-like rings. The rings can have various side chains which usually include a long phytol chain. | 2.03 | 1 | 0 | chlorophyll;
methyl ester | cofactor |
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. | 1.96 | 1 | 0 | | |
ascorbic acid
Ascorbic Acid: A six carbon compound related to glucose. It is found naturally in citrus fruits and many vegetables. Ascorbic acid is an essential nutrient in human diets, and necessary to maintain connective tissue and bone. Its biologically active form, vitamin C, functions as a reducing agent and coenzyme in several metabolic pathways. Vitamin C is considered an antioxidant.. L-ascorbic acid : The L-enantiomer of ascorbic acid and conjugate acid of L-ascorbate.. L-ascorbate : The L-enantiomer of ascorbate and conjugate base of L-ascorbic acid, arising from selective deprotonation of the 3-hydroxy group. Required for a range of essential metabolic reactions in all animals and plants.. vitamin C : Any member of a group of vitamers that belong to the chemical structural class called butenolides that exhibit biological activity against vitamin C deficiency in animals. The vitamers include L-ascorbic acid and its salt, ionized and oxidized forms. | 1.96 | 1 | 0 | ascorbic acid;
vitamin C | coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent |
orabase
Orabase: used in therapy of oral mucosal ulcers | 2.13 | 1 | 0 | | |