Molecular Identity
Butoconazole Nitrate
1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)sulfanylbutyl]imidazole;nitric acid
PubChem CID: 47471
Butoconazole nitrate is 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. It is a member of imidazoles, an aryl sulfide, an organic nitrate salt, an imidazole antifungal drug and a conazole antifungal drug. It contains a butoconazole(1+).
2D Structure
Properties
C19H18Cl3N3O3S
Molecular Formula
474.80
Molecular Weight
g/mol
473.0134
Exact Mass
Da
109
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
408
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=C(C(=C1)Cl)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)Cl.[N+](=O)(O)[O-]Isomeric SMILES
SMILES: C1=CC(=C(C(=C1)Cl)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)Cl.[N+](=O)(O)[O-]Synonyms(20)
BUTOCONAZOLE NITRATE64872-77-1FemstatGynomykGynazole-1ExelgynFemstat 3Mycelex-3RS-35887GynazoleDTXSID6045452RS-35887-00-10-3(+-)-1-(4-(4-Chlorophenyl)-2-((2,6-dichlorophenyl)thio)butyl)-1H-imidazole mononitrateCHEBI:32414805237NP5
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Butoconazole Nitrate
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