hexachlorophene (CHEBI:5693)

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ChEBI Name	hexachlorophene

ChEBI ID	CHEBI:5693

Definition	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.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C13H6Cl6O2

Net Charge

Average Mass

406.90400

Monoisotopic Mass

403.84990

InChI

InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2

InChIKey

ACGUYXCXAPNIKK-UHFFFAOYSA-N

SMILES

Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl

Roles Classification
Biological Role(s):	antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. antifungal agrochemical Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties. fungicide A substance used to destroy fungal pests. (via bridged diphenyl fungicide ) antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. (via bridged diphenyl antifungal agent )

Application(s):	antiseptic drug A substance used locally on humans and other animals to destroy harmful microorganisms or to inhibit their activity (cf. disinfectants, which destroy microorganisms found on non-living objects, and antibiotics, which can be transported through the lymphatic system to destroy bacteria within the body). acaricide A substance used to destroy pests of the subclass Acari (mites and ticks). antifungal agrochemical Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties. fungicide A substance used to destroy fungal pests. (via bridged diphenyl fungicide )

ChEBI Ontology
Outgoing	hexachlorophene (CHEBI:5693) has role acaricide (CHEBI:22153) hexachlorophene (CHEBI:5693) has role antibacterial agent (CHEBI:33282) hexachlorophene (CHEBI:5693) has role antifungal agrochemical (CHEBI:86328) hexachlorophene (CHEBI:5693) has role antiseptic drug (CHEBI:48218) hexachlorophene (CHEBI:5693) is a bridged diphenyl fungicide (CHEBI:87039) hexachlorophene (CHEBI:5693) is a polyphenol (CHEBI:26195) hexachlorophene (CHEBI:5693) is a trichlorobenzene (CHEBI:27096)

IUPAC Name

2,2'-methylenebis(3,4,6-trichlorophenol)

Synonyms	Sources
2,2',3,3',5,5'-hexachloro-6,6'-dihydroxydiphenylmethane	NIST Chemistry WebBook
2,2'-dihydroxy-3,3',5,5',6,6'-hexachlorodiphenylmethane	NIST Chemistry WebBook
2,2'-dihydroxy-3,5,6,3',5',6'-hexachlorodiphenylmethane	NIST Chemistry WebBook
2,2'-methanediylbis(3,4,6-trichlorophenol)	PDBeChem
bis(2-hydroxy-3,5,6-trichlorophenyl)methane	NIST Chemistry WebBook
bis(3,5,6-trichloro-2-hydroxyphenyl)methane	NIST Chemistry WebBook

Last Modified

22 February 2017