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CHEBI:59290 - (S)-butoconazole nitrate

ChEBI IDCHEBI:59290
ChEBI Name(S)-butoconazole nitrate
Stars
ASCII Name(S)-butoconazole nitrate
DefinitionThe nitric acid salt of (S)-butoconazole.
Last Modified3 February 2011
SubmitterGareth Owen
DownloadsMolfile
FormulaC19H17Cl3N2S.HNO3
Net Charge0
Average Mass474.797
Monoisotopic Mass473.01345
SMILESClc1ccc(CC[C@@H](Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1.O=[N+]([O-])O
InChIInChI=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)/t16-;/m0./s1
InChIKeyZHPWRQIPPNZNML-NTISSMGPSA-N
Roles Classification
Biological Roles:
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.
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.
Applications:
antifungal drug  Any antifungal agent used to prevent or treat fungal infections in humans or animals.
antifungal drug  Any antifungal agent used to prevent or treat fungal infections in humans or animals.
ChEBI Ontology
Outgoing Relation(s)
(S)-butoconazole nitrate (CHEBI:59290) is a butoconazole nitrate (CHEBI:3241)
(S)-butoconazole nitrate (CHEBI:59290) is enantiomer of (R)-butoconazole nitrate (CHEBI:59289)
Incoming Relation(s)
(R)-butoconazole nitrate (CHEBI:59289) is enantiomer of (S)-butoconazole nitrate (CHEBI:59290)
IUPAC Name 
1-{(2S)-4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)sulfanyl]butyl}-1H-imidazole nitrate
Manual XrefsDatabases
DB00639DrugBank
Registry NumbersSources
Beilstein:6366647Beilstein