Molecular Identity
Triclosan
5-chloro-2-(2,4-dichlorophenoxy)phenol
PubChem CID: 5564
Triclosan is 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. It has a role as an EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor, a fungicide, an antibacterial agent, a xenobiotic, an antimalarial, an EC 1.5.1.3 (dihydrofolate reductase) inhibitor, a persistent organic pollutant and a drug allergen. It is a dichlorobenzene, a member of phenols, an aromatic ether and a member of monochlorobenzenes.
2D Structure
Properties
C12H7Cl3O2
Molecular Formula
289.50
Molecular Weight
g/mol
287.9512
Exact Mass
Da
5
XLogP
Above Lipinski threshold
29.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
2
H-Bond Acceptors
252
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)ClIsomeric SMILES
SMILES: C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)ClSynonyms(20)
triclosan3380-34-55-CHLORO-2-(2,4-DICHLOROPHENOXY)PHENOLCloxifenolum2,4,4'-Trichloro-2'-hydroxydiphenyl etherTriclosanumIrgasan DP300Stri-Dex Cleansing BarStri-Dex Face WashCH 3565Phenol, 5-chloro-2-(2,4-dichlorophenoxy)-Lexol 3005-Chloro-2-(2,4-dichloro-phenoxy)-phenolCH-3565DTXSID5032498
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Triclosan
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