butoconazole (CHEBI:3240)

CHEBI:3240 - butoconazole

ChEBI ID	CHEBI:3240
ChEBI Name	butoconazole
Stars
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.
Secondary ChEBI ID	CHEBI:355508
Last Modified	22 February 2017
Downloads	Molfile

Formula	C19H17Cl3N2S
Net Charge	0
Average Mass	411.785
Monoisotopic Mass	410.01780
SMILES	Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1
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

Wikipedia

Roles Classification

antifungal drug Any antifungal agent used to prevent or treat fungal infections in humans or animals.

antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.

antifungal drug Any antifungal agent used to prevent or treat fungal infections in humans or animals.

antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.

ergosterol biosynthesis inhibitor Any compound that inhibits one or more steps in the pathway leading to the synthesis of ergosterol.

antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.

ergosterol biosynthesis inhibitor Any compound that inhibits one or more steps in the pathway leading to the synthesis of ergosterol.

antifungal drug Any antifungal agent used to prevent or treat fungal infections in humans or animals.

ChEBI Ontology

Outgoing Relation(s)
	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 Relation(s)
	(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	Source
1-[4-(4-Chloro-phenyl)-2-(2,6-dichloro-phenylsulfanyl)-butyl]-1H-imidazole	ChEMBL
Butoconazole	KEGG COMPOUND