CHEBI:164200 - triclosan

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ChEBI Name triclosan
ChEBI ID CHEBI:164200
Definition An aromatic ether that is phenol which is substituted at C-5 by a chloro group and at C-2 by a 2,4-dichlorophenoxy group. It is widely used as a preservative and antimicrobial agent in personal care products such as soaps, skin creams, toothpaste and deodorants as well as in household items such as plastic chopping boards, sports equipment and shoes.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:47700, CHEBI:29697
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Formula C12H7Cl3O2
Net Charge 0
Average Mass 289.54200
Monoisotopic Mass 287.951
InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H
InChIKey XEFQLINVKFYRCS-UHFFFAOYSA-N
SMILES Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
Roles Classification
Chemical Role(s): persistent organic pollutant
Any environmental contaminant that is resistant to environmental degradation through photolytic, biological or chemical processes. Such substances can have significant impact on health and the environment, as they persist in the environment, bioaccumulate in animal tissue and so biomagnify in food chains.
Biological Role(s): antibacterial agent
A substance that kills or slows the growth of bacteria.
fungicide
A substance used to destroy fungal pests.
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
An EC 1.5.1.* (oxidoreductase acting on donor CH-NH group, NAD+ or NADP+ as acceptor) inhibitor that interferes with the action of dihydrofolate reductase (EC 1.5.1.3).
antimalarial
A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor
An EC 1.3.1.* (oxidoreductase acting on donor CH-CH group, NAD+ or NADP+ as acceptor) inhibitor that interferes with the action of enoyl-[acyl-carrier-protein] reductase (NADH), EC 1.3.1.9.
xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
Application(s): fungicide
A substance used to destroy fungal pests.
antimalarial
A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing triclosan (CHEBI:164200) has role antibacterial agent (CHEBI:33282)
triclosan (CHEBI:164200) has role antimalarial (CHEBI:38068)
triclosan (CHEBI:164200) has role EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor (CHEBI:139512)
triclosan (CHEBI:164200) has role EC 1.5.1.3 (dihydrofolate reductase) inhibitor (CHEBI:50683)
triclosan (CHEBI:164200) has role fungicide (CHEBI:24127)
triclosan (CHEBI:164200) has role persistent organic pollutant (CHEBI:77853)
triclosan (CHEBI:164200) has role xenobiotic (CHEBI:35703)
triclosan (CHEBI:164200) is a aromatic ether (CHEBI:35618)
triclosan (CHEBI:164200) is a dichlorobenzene (CHEBI:23697)
triclosan (CHEBI:164200) is a monochlorobenzenes (CHEBI:83403)
triclosan (CHEBI:164200) is a phenols (CHEBI:33853)
IUPAC Name
5-chloro-2-(2,4-dichlorophenoxy)phenol
INNs Sources
triclosan ChemIDplus
triclosan WHO MedNet
triclosán WHO MedNet
triclosanum ChemIDplus
Synonyms Sources
2,4,4'-Trichloro-2'-hydroxydiphenyl ether ChemIDplus
5-Chloro-2-(2,4-dichloro-phenoxy)-phenol ChEMBL
Triclosan KEGG COMPOUND
Database Links Databases
3631 DrugCentral
C12059 KEGG COMPOUND
D06226 KEGG DRUG
DB08604 DrugBank
LSM-2929 LINCS
NL6401526 Patent
TCL PDBeChem
Triclosan Wikipedia
US3506720 Patent
US3629477 Patent
View more database links
Registry Numbers Types Sources
2057142 Reaxys Registry Number Reaxys
2057142 Beilstein Registry Number Beilstein
3380-34-5 CAS Registry Number KEGG COMPOUND
3380-34-5 CAS Registry Number ChemIDplus
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Last Modified
24 January 2018