CHEBI:3241 - butoconazole nitrate

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ChEBI Name butoconazole nitrate
ChEBI ID CHEBI:3241
Definition An organic nitrate salt obtained by reaction of equimolar amounts of butaconazole and nitric acid. An antifungal agent, it is used 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.
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Formula C19H18Cl3N3O3S
Net Charge 0
Average Mass 474.78900
Monoisotopic Mass 473.01345
InChI InChI=1S/C19H17Cl3N2S.HNO3/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;2-1(3)4/h1-5,7-8,10-11,13,16H,6,9,12H2;(H,2,3,4)
InChIKey ZHPWRQIPPNZNML-UHFFFAOYSA-N
SMILES O[N+]([O-])=O.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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing butoconazole nitrate (CHEBI:3241) has part butoconazole(1+) (CHEBI:61263)
butoconazole nitrate (CHEBI:3241) is a aryl sulfide (CHEBI:35683)
butoconazole nitrate (CHEBI:3241) is a conazole antifungal drug (CHEBI:87071)
butoconazole nitrate (CHEBI:3241) is a imidazole antifungal drug (CHEBI:87069)
butoconazole nitrate (CHEBI:3241) is a imidazoles (CHEBI:24780)
butoconazole nitrate (CHEBI:3241) is a organic nitrate salt (CHEBI:51085)
Incoming (R)-butoconazole nitrate (CHEBI:59289) is a butoconazole nitrate (CHEBI:3241)
(S)-butoconazole nitrate (CHEBI:59290) is a butoconazole nitrate (CHEBI:3241)
IUPAC Name
1-{4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)sulfanyl]butyl}-1H-imidazole nitrate
Synonyms Sources
(±)-1-(4-(4-chlorophenyl)-2-((2,6-dichlorophenyl)thio)butyl)-1H-imidazole mononitrate ChemIDplus
(±)-1-(4-(p-chlorophenyl)-2-((2,6-dichlorophenyl)thio)butyl)imidazole mononitrate ChemIDplus
Butoconazole nitrate KEGG COMPOUND
nitrato de butoconazol ChEBI
Manual Xrefs Databases
C08066 KEGG COMPOUND
D00880 KEGG DRUG
DB00639 DrugBank
View more database links
Registry Numbers Types Sources
6366645 Beilstein Registry Number Beilstein
64872-77-1 CAS Registry Number ChemIDplus
Last Modified
23 July 2015
General Comment
2011-02-07 An antifungal agent, butoconazole nitrate is used in gynaecology for treatment of vulvovaginal infections caused by Candida species, particularly Candida albicans.