TCL

TRICLOSAN

Created: 1999-07-08
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count24
Chiral Atom Count0
Bond Count25
Aromatic Bond Count12
2D diagram of TCL

Chemical Component Summary

NameTRICLOSAN
Systematic Name (OpenEye OEToolkits)5-chloro-2-(2,4-dichlorophenoxy)phenol
FormulaC12 H7 Cl3 O2
Molecular Weight289.542
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O
SMILESCACTVS3.341Oc1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl
SMILESOpenEye OEToolkits1.5.0c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl
Canonical SMILESCACTVS3.341 Oc1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl
InChIInChI1.03 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
InChIKeyInChI1.03 XEFQLINVKFYRCS-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB08604 
NameTriclosan
Groups
  • approved
  • investigational
DescriptionAn 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.
Synonyms
  • Triclosan
  • 5-Chloro-2-(2,4-dichloro-phenoxy)-phenol
  • Triclosanum
  • Triclosán
  • 2,4,4'-Trichloro-2'-hydroxydiphenyl ether
Brand Names
  • APRIL Bath and Shower Anti-Bacterial Lathering Cleanser
  • Tc Enriched Foam Antibacterial Hand Wash
  • Anti-Bacterial Deep Cleansing Hand Strawberry Hibiscus
  • Anti-Bacterial Deep Cleansing Hand Sparkling Snow
  • Bodycology white gardenia anti-bacterial foaming hand soap
IndicationTriclosan is used in a variety of common household products, including soaps, mouthwashes, dish detergents, toothpastes, deodorants, and hand sanitizers. It is also used in health care settings in surgical scrubs and personnel hand washes.
Categories
  • Anti-Infective Agents
  • Anti-Infective Agents, Local
  • Antiseptics and Disinfectants
  • Benzene Derivatives
  • Dermatologicals
ATC-Code
  • D08AE04
  • D09AA06
CAS number3380-34-5

Drug Targets

NameTarget SequencePharmacological ActionActions
Enoyl-[acyl-carrier-protein] reductase [NADH] FabIMGFLSGKRILVTGVASKLSIAYGIAQAMHREGAELAFTYQNDKLKGRVEE...unknown
Enoyl-[acyl-carrier-protein] reductase [NADH]MTGLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLRLIQRI...unknown
Enoyl-[acyl-carrier-protein] reductase [NADH] FabIMGFLKGKKGLIVGVANNKSIAYGIAQSCFNQGATLAFTYLNESLEKRVRP...unknown
Enoyl-[acyl-carrier-protein] reductase [NADH]MELLQGKTFVVMGVANQRSIAWGIARSLHNAGAKLIFTYAGERLERNVRE...unknown
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabIMLNLENKTYVIMGIANKRSIAFGVAKVLDQLGAKLVFTYRKERSRKELEK...unknown
View More
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL849
PubChem 5564
ChEMBL CHEMBL849
ChEBI CHEBI:164200
CCDC/CSD QUBQIO01, QUBQIO
COD 2017232