| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
allantoin
[no description available] | 2.05 | 1 | 0 | imidazolidine-2,4-dione;
ureas | Escherichia coli metabolite;
human metabolite;
Saccharomyces cerevisiae metabolite;
vulnerary |
betaine
glycine betaine : The amino acid betaine derived from glycine. | 2.41 | 1 | 0 | amino-acid betaine;
glycine derivative | fundamental metabolite |
carbamates
[no description available] | 3.55 | 2 | 0 | amino-acid anion | |
2-nitropropane
2-nitropropane: RN given refers to cpd with locant for nitro moiety in 2 position. 2-nitropropane : A secondary nitroalkane that is propane in which a hydrogen at position 2 has been replaced by a nitro group. Mainly used as a solvent (b.p. 120degreeC). | 3.96 | 3 | 0 | secondary nitroalkane | carcinogenic agent;
hepatotoxic agent;
polar aprotic solvent;
xenobiotic |
formaldehyde
paraform: polymerized formaldehyde; RN given refers to parent cpd; used in root canal therapy | 8.76 | 23 | 3 | 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 |
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. | 4.36 | 3 | 0 | alkyl alcohol;
one-carbon compound;
primary alcohol;
volatile organic compound | amphiprotic solvent;
Escherichia coli metabolite;
fuel;
human metabolite;
mouse metabolite;
Mycoplasma genitalium 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. | 2.06 | 1 | 0 | metal allergen;
nickel group element atom | epitope;
micronutrient |
sarcosine
cocobetaine: N-alkyl-betaine; cause of shampoo dermatitis | 3.61 | 2 | 0 | N-alkylglycine zwitterion;
N-alkylglycine;
N-methyl-amino acid;
N-methylglycines | Escherichia coli metabolite;
glycine receptor agonist;
glycine transporter 1 inhibitor;
human metabolite;
mouse metabolite |
toluene
methylbenzene : Any alkylbenzene that is benzene substituted with one or more methyl groups. | 2.07 | 1 | 0 | methylbenzene;
toluenes;
volatile organic compound | cholinergic antagonist;
fuel additive;
neurotoxin;
non-polar solvent |
urea
pseudourea: clinical use; structure. isourea : A carboximidic acid that is the imidic acid tautomer of urea, H2NC(=NH)OH, and its hydrocarbyl derivatives. | 9.23 | 38 | 3 | isourea;
monocarboxylic acid amide;
one-carbon compound | Daphnia magna metabolite;
Escherichia coli metabolite;
fertilizer;
flour treatment agent;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
5-bromo-5-nitro-1,3-dioxane
5-bromo-5-nitro-1,3-dioxane: structure in first source | 4.36 | 3 | 0 | | |
bronopol
[no description available] | 4.38 | 6 | 0 | nitro compound | |
chloroxylenol
chloroxylenol: topical antiseptic; RN given refers to parent cpd; structure. 4-chloro-3,5-dimethylphenol : A member of the class of phenols that is 3,5-xylenol which is substituted at position 4 by chlorine. It is bactericidal against most Gram-positive bacteria but less effective against Staphylococci and Gram-negative bacteria, and often inactive against Pseudomonas species. It is ineffective against bacterial spores. | 3.14 | 1 | 0 | monochlorobenzenes;
phenols | antiseptic drug;
disinfectant;
molluscicide |
glutaral
Glutaral: One of the protein CROSS-LINKING REAGENTS that is used as a disinfectant for sterilization of heat-sensitive equipment and as a laboratory reagent, especially as a fixative.. glutaraldehyde : A dialdehyde comprised of pentane with aldehyde functions at C-1 and C-5. | 3.14 | 1 | 0 | dialdehyde | cross-linking reagent;
disinfectant;
fixative |
methenamine
Methenamine: An anti-infective agent most commonly used in the treatment of urinary tract infections. Its anti-infective action derives from the slow release of formaldehyde by hydrolysis at acidic pH. (From Martindale, The Extra Pharmacopoeia, 30th ed, p173). hexamethylenetetramine : A polycyclic cage that is adamantane in which the carbon atoms at positions 1, 3, 5 and 7 are replaced by nitrogen atoms. | 5.69 | 10 | 0 | polyazaalkane;
polycyclic cage;
tetramine | antibacterial drug |
methyl methanesulfonate
[no description available] | 1.99 | 1 | 0 | methanesulfonate ester | alkylating agent;
apoptosis inducer;
carcinogenic agent;
genotoxin;
mutagen |
triclosan
[no description available] | 1.97 | 1 | 0 | aromatic ether;
dichlorobenzene;
monochlorobenzenes;
phenols | antibacterial agent;
antimalarial;
drug allergen;
EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
fungicide;
persistent organic pollutant;
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. | 1.99 | 1 | 0 | mitomycin | alkylating agent;
antineoplastic agent |
propane
Propane: A three carbon alkane with the formula H3CCH2CH3. | 3.96 | 3 | 0 | alkane;
gas molecular entity | food propellant |
tromethamine
Tromethamine: An organic amine proton acceptor. It is used in the synthesis of surface-active agents and pharmaceuticals; as an emulsifying agent for cosmetic creams and lotions, mineral oil and paraffin wax emulsions, as a biological buffer, and used as an alkalizer. (From Merck, 11th ed; Martindale, The Extra Pharmacopoeia, 30th ed, p1424) | 2.25 | 1 | 0 | primary amino compound;
triol | buffer |
propylparaben
Parabens: Methyl, propyl, butyl, and ethyl esters of p-hydroxybenzoic acid. They have been approved by the FDA as antimicrobial agents for foods and pharmaceuticals. (From Hawley's Condensed Chemical Dictionary, 11th ed, p872) | 4.07 | 4 | 0 | benzoate ester;
paraben;
phenols | antifungal agent;
antimicrobial agent |
carbamol
carbamol: RN given refers to cpd with specified locant | 2.4 | 2 | 0 | ureas | |
thiazoles
[no description available] | 2.71 | 3 | 0 | 1,3-thiazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene | |
hydantoins
Hydantoins: Compounds based on imidazolidine dione. Some derivatives are ANTICONVULSANTS.. imidazolidine-2,4-dione : An imidazolidinone with oxo groups at position 2 and 4. | 5.05 | 7 | 0 | imidazolidine-2,4-dione | |
cocamidopropyl betaine
cocamidopropyl betaine: structure given in first source; Genagen CAB, Tego Betain, Rewoteric AMB 14 usually contain 30% cocamidopropyl betaine (CAPB). cocamidopropyl betaine : A mixture of carboxamidopropyl betaines derived from fatty acids of varying chain lengths. The principal component is lauramidopropyl betaine.. lauramidopropyl betaine : An ammonium betaine in which the the ammonium nitrogen is substituted by two methyl groups and a lauramidopropyl group. It is the major (>50%) component of cocamidopropyl betaine. | 2.41 | 1 | 0 | ammonium betaine | surfactant |
octocrylene
[no description available] | 2.06 | 1 | 0 | diarylmethane | |
1,3-dimethylol-5,5-dimethylhydantoin
1,3-dimethylol-5,5-dimethylhydantoin: structure given in first source | 4.91 | 6 | 0 | | |
copper sulfate
Copper Sulfate: A sulfate salt of copper. It is a potent emetic and is used as an antidote for poisoning by phosphorus. It also can be used to prevent the growth of algae.. copper(II) sulfate : A metal sulfate compound having copper(2+) as the metal ion. | 2 | 1 | 0 | metal sulfate | emetic;
fertilizer;
sensitiser |
phenoxyethanol
phenoxyethanol: structure. 2-phenoxyethanol : An aromatic ether that is phenol substituted on oxygen by a 2-hydroxyethyl group. | 2.06 | 1 | 0 | aromatic ether;
glycol ether;
primary alcohol | antiinfective agent;
central nervous system depressant |
5-chloro-2-methyl-4-isothiazolin-3-one
5-chloro-2-methyl-4-isothiazolin-3-one: RN given refers to parent cpd; structure. chloromethylisothiazolinone : A 1,2-thiazole that is 4-isothiazolin-3-one bearing a methyl group on the nitrogen atom and a chlorine at C-5. It is a powerful biocide and preservative and is the major active ingredient in the commercial product Kathon(TM). | 2.47 | 2 | 0 | 1,2-thiazoles;
organochlorine compound | antimicrobial agent;
environmental contaminant;
xenobiotic |
imidazolidinyl urea
imidazolidinyl urea: RN given refers to parent cpd | 7.67 | 19 | 1 | ureas | antimicrobial agent |
2-methyl-4-isothiazolin-3-one
2-methyl-4-isothiazolin-3-one: RN given refers to parent cpd; structure. methylisothiazolinone : A 1,2-thazole that is 4-isothiazolin-3-one bearing a methyl group on the nitrogen atom. It is a powerful biocide and preservative and is the minor active ingredient in the commercial product Kathon(TM). | 2.07 | 1 | 0 | 1,2-thiazoles | antifouling biocide;
antifungal agent;
antimicrobial agent |
kathon cg
Kathon 886: industrial biocide & cosmetic preservative formulation; contains methylcholoro-isothiazolinone and methylcholoroisothiazolinone | 1.97 | 1 | 0 | | |
1,2-dibromo-2,4-dicyanobutane
1,2-dibromo-2,4-dicyanobutane: biocide used in glue implicated in contact dermatitis; euxyl K 400 is a 2-phenoxyethanol mixture. 2-bromo-2-(bromomethyl)pentanedinitrile : An organobromine compound that consists of pentanedinitrile bearing bromo and bromomethyl substituents at position 2. | 3.85 | 3 | 0 | aliphatic nitrile;
organobromine compound | allergen;
sensitiser |
3-iodo-2-propynylbutylcarbamate
3-iodo-2-propynylbutylcarbamate: RN & structure given in first source. 3-iodoprop-2-yn-1-yl butylcarbamate : A carbamate ester that is carbamic acid in which the nitrogen has been substituted by a butyl group and in which the hydrogen of the carboxy group is replaced by a 1-iodoprop-2-yn-3-yl group. A fungicide, it is used as a preservative and sapstain control chemical in wood products and as a preservative in adhesives, paints, latex paper coating, plastic, water-based inks, metal working fluids, textiles, and numerous consumer products. | 3.55 | 2 | 0 | acetylenic compound;
carbamate ester;
carbamate fungicide;
organoiodine compound | antifungal agrochemical;
environmental contaminant;
xenobiotic |
monomethylolglycine
[no description available] | 3.61 | 2 | 0 | | |
2-nitropropanol
2-nitropropanol: has antimicrobial activity; a cross-linking reagent | 2.25 | 1 | 0 | C-nitro compound | |
km 200
Grotan BK: contains 1,3,5-tris(hydroxyethyl)hexahydrotriazine; releases formaldehyde; bactericidal agent in coolant liquids; structure | 2.06 | 1 | 0 | | |
4-toluenesulfonamide-formaldehyde resin
4-toluenesulfonamide-formaldehyde resin: does not contain free formaldehyde | 2.07 | 1 | 0 | | |
tretinoin
Tretinoin: An important regulator of GENE EXPRESSION during growth and development, and in NEOPLASMS. Tretinoin, also known as retinoic acid and derived from maternal VITAMIN A, is essential for normal GROWTH; and EMBRYONIC DEVELOPMENT. An excess of tretinoin can be teratogenic. It is used in the treatment of PSORIASIS; ACNE VULGARIS; and several other SKIN DISEASES. It has also been approved for use in promyelocytic leukemia (LEUKEMIA, PROMYELOCYTIC, ACUTE).. retinoic acid : A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraenoic acid substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified).. all-trans-retinoic acid : A retinoic acid in which all four exocyclic double bonds have E- (trans-) geometry. | 1.99 | 1 | 0 | retinoic acid;
vitamin A | anti-inflammatory agent;
antineoplastic agent;
antioxidant;
AP-1 antagonist;
human metabolite;
keratolytic drug;
retinoic acid receptor agonist;
retinoid X receptor agonist;
signalling molecule |
calcitriol
dihydroxy-vitamin D3: as a major in vitro metabolite of 1alpha,25-dihydroxyvitamin D3, produced in primary cultures of neonatal human keratinocytes | 1.99 | 1 | 0 | D3 vitamins;
hydroxycalciol;
triol | antineoplastic agent;
antipsoriatic;
bone density conservation agent;
calcium channel agonist;
calcium channel modulator;
hormone;
human metabolite;
immunomodulator;
metabolite;
mouse metabolite;
nutraceutical |
clobetasol
Clobetasol: A derivative of PREDNISOLONE with high glucocorticoid activity and low mineralocorticoid activity. Absorbed through the skin faster than FLUOCINONIDE, it is used topically in treatment of PSORIASIS but may cause marked adrenocortical suppression.. clobetasol : A 3-oxo-Delta(1),Delta(4)-steroid that is 16beta-methylpregna-1,4-diene-3,20-dione bearing hydroxy groups at the 11beta and 17alpha positions, fluorine at position 9, and a chlorine substituent at position 21. It is used as its 17alpha-propionate ester to treat various skin disorders, including exzema and psoriasis. | 1.99 | 1 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
fluorinated steroid;
glucocorticoid;
tertiary alpha-hydroxy ketone | anti-inflammatory drug;
SMO receptor agonist |
quaternium-15
quaternium-15 : A quaternary ammonium salt derived from hexamethylenetetramine; used as a preservative in many cosmetics and industrial substances. Also acts as a disinfectant and allergenic agent. | 5.69 | 10 | 0 | | |
thimerosal
Thimerosal: An ethylmercury-sulfidobenzoate that has been used as a preservative in VACCINES; ANTIVENINS; and OINTMENTS. It was formerly used as a topical antiseptic. It degrades to ethylmercury and thiosalicylate.. thimerosal : An alkylmercury compound (approximately 49% mercury by weight) used as an antiseptic and antifungal agent. | 2.41 | 1 | 0 | alkylmercury compound | antifungal drug;
antiseptic drug;
disinfectant;
drug allergen |
calcipotriene
calcipotriene: a topical dermatologic for the treatment of moderate plaque psoriasis; structure in first source. calcipotriol hydrate : A hydrate that is the monohydrate form of calcipotriol. It is used in combination with betamethasone dipropionate, a corticosteroid, for the topical treatment of plaque psoriasis in adult patients. | 1.99 | 1 | 0 | hydrate | antipsoriatic |