butoconazole (CHEBI:3240)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	butoconazole

ChEBI ID	CHEBI:3240

Definition	A member of the class of imidazoles that is 1H-imidazole in which the hydrogen attached to the nitrogen is substituted by a 4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)sulfanyl]butyl group. An antifungal agent, it is used as its nitrate salt in gynaecology for treatment of vulvovaginal infections caused by Candida species, particularly Candida albicans.

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

Secondary ChEBI IDs	CHEBI:355508

Supplier Information

Download	Molfile XML SDF

Wikipedia	License

Read full article at Wikipedia

Formula

C19H17Cl3N2S

Net Charge

Average Mass

411.77600

Monoisotopic Mass

410.01780

InChI

InChI=1S/C19H17Cl3N2S/c20-15-7-4-14(5-8-15)6-9-16(12-24-11-10-23-13-24)25-19-17(21)2-1-3-18(19)22/h1-5,7-8,10-11,13,16H,6,9,12H2

InChIKey

SWLMUYACZKCSHZ-UHFFFAOYSA-N

SMILES

Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1

Roles Classification
Biological Role(s):	antifungal drug Any antifungal agent used to prevent or treat fungal infections in humans or animals. (via imidazole antifungal drug ) (via conazole antifungal drug ) antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. (via imidazole antifungal agent ) (via conazole antifungal agent ) ergosterol biosynthesis inhibitor Any compound that inhibits one or more steps in the pathway leading to the synthesis of ergosterol. (via conazole antifungal agent )

Application(s):	antifungal drug Any antifungal agent used to prevent or treat fungal infections in humans or animals. (via imidazole antifungal drug ) (via conazole antifungal drug )

ChEBI Ontology
Outgoing	butoconazole (CHEBI:3240) is a aryl sulfide (CHEBI:35683) butoconazole (CHEBI:3240) is a conazole antifungal drug (CHEBI:87071) butoconazole (CHEBI:3240) is a dichlorobenzene (CHEBI:23697) butoconazole (CHEBI:3240) is a imidazole antifungal drug (CHEBI:87069) butoconazole (CHEBI:3240) is a imidazoles (CHEBI:24780) butoconazole (CHEBI:3240) is a monochlorobenzenes (CHEBI:83403) butoconazole (CHEBI:3240) is conjugate base of butoconazole(1+) (CHEBI:61263)

Incoming	(R)-butaconazole (CHEBI:59287) is a butoconazole (CHEBI:3240) (S)-butoconazole (CHEBI:59288) is a butoconazole (CHEBI:3240) butoconazole(1+) (CHEBI:61263) is conjugate acid of butoconazole (CHEBI:3240)

IUPAC Name

1-{4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)sulfanyl]butyl}-1H-imidazole

Synonyms	Sources
1-[4-(4-Chloro-phenyl)-2-(2,6-dichloro-phenylsulfanyl)-butyl]-1H-imidazole	ChEMBL
Butoconazole	KEGG COMPOUND

Last Modified

22 February 2017