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CHEBI:5693 - hexachlorophene

ChEBI IDCHEBI:5693
ChEBI Namehexachlorophene
Stars
DefinitionAn 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.
Last Modified22 February 2017
DownloadsMolfile
FormulaC13H6Cl6O2
Net Charge0
Average Mass406.907
Monoisotopic Mass403.84990
SMILESOc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl
InChIInChI=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
InChIKeyACGUYXCXAPNIKK-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
fungicide  A substance used to destroy fungal pests.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
Applications:
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.
ChEBI Ontology
Outgoing Relation(s)
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)
INNs  Source
hexachloropheneWHO MedNet
hexachlorophèneWHO MedNet
hexachlorophenumWHO MedNet
hexaclorofenoWHO MedNet
Synonyms  Source
2,2',3,3',5,5'-hexachloro-6,6'-dihydroxydiphenylmethaneNIST Chemistry WebBook
2,2'-dihydroxy-3,3',5,5',6,6'-hexachlorodiphenylmethaneNIST Chemistry WebBook
2,2'-dihydroxy-3,5,6,3',5',6'-hexachlorodiphenylmethaneNIST Chemistry WebBook
2,2'-methanediylbis(3,4,6-trichlorophenol)PDBeChem
bis(2-hydroxy-3,5,6-trichlorophenyl)methaneNIST Chemistry WebBook
bis(3,5,6-trichloro-2-hydroxyphenyl)methaneNIST Chemistry WebBook
Brand Names  Source
AcigenaChemIDplus
AlmedermChemIDplus
ArmohexChemIDplus
DistodinChemIDplus
EsaclorofeneChemIDplus
ExofeneChemIDplus
Manual XrefsDatabases
1364DrugCentral
381PPDB
C08039KEGG COMPOUND
D00859KEGG DRUG
DB00756DrugBank
H3PPDBeChem
HexachloropheneWikipedia
HMDB0014894HMDB
LSM-6032LINCS
US2250480Patent
US2435593Patent
US2812365Patent
Registry NumbersSources
Reaxys:2064407Reaxys
CAS:70-30-4KEGG COMPOUND
CAS:70-30-4ChemIDplus
CAS:70-30-4NIST Chemistry WebBook
Citations