Molecular Identity
hexachlorophene
3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol
PubChem CID: 3598
Hexachlorophene is an organochlorine compound that is diphenylmethane in which each of the phenyl groups is substituted by chlorines at positions 2, 3, and 5, and by a hydroxy group at position 6. An antiseptic that is effective against Gram-positive organisms, it is used in soaps and creams for the treatment of various skin disorders. It is also used in agriculture as an acaricide and fungicide, but is not approved for such use within the European Union. It has a role as an acaricide, an antibacterial agent, an antiseptic drug and an antifungal agrochemical. It is a polyphenol, a trichlorobenzene and a bridged diphenyl fungicide.
2D Structure
Properties
C13H6Cl6O2
Molecular Formula
406.90
Molecular Weight
g/mol
405.8469
Exact Mass
Da
7.5
XLogP
Above Lipinski threshold
40.5
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
2
H-Bond Acceptors
328
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
hexachlorophene70-30-4HexachlorofenHexachlorophenNabacpHisoHexExofeneGamophenAlmedermFostrilSeptisolSurofeneTurgexGerma-MedicaDermadex
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to hexachlorophene
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