CHEBI:3240 - butoconazole

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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
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Formula C19H17Cl3N2S
Net Charge 0
Average Mass 411.77600
Monoisotopic Mass 410.018
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 )
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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
INNs Sources
butoconazol ChemIDplus
butoconazole ChemIDplus
butoconazole WHO MedNet
butoconazolum ChemIDplus
Synonyms Sources
1-[4-(4-Chloro-phenyl)-2-(2,6-dichloro-phenylsulfanyl)-butyl]-1H-imidazole ChEMBL
Butoconazole KEGG COMPOUND
Manual Xrefs Databases
450 DrugCentral
Butoconazole Wikipedia
C08065 KEGG COMPOUND
D07598 KEGG DRUG
DB00639 DrugBank
LSM-1344 LINCS
US4078071 Patent
View more database links
Registry Numbers Types Sources
627151 Beilstein Registry Number Beilstein
627151 Reaxys Registry Number Reaxys
64872-76-0 CAS Registry Number ChemIDplus
Last Modified
22 February 2017