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CHEBI:59288 - (S)-butoconazole

ChEBI IDCHEBI:59288
ChEBI Name(S)-butoconazole
Stars
ASCII Name(S)-butoconazole
DefinitionThe (S)-enantiomer of butoconazole.
Last Modified24 August 2012
SubmitterGareth Owen
DownloadsMolfile
FormulaC19H17Cl3N2S
Net Charge0
Average Mass411.785
Monoisotopic Mass410.01780
SMILESClc1ccc(CC[C@@H](Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1
InChIInChI=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/t16-/m0/s1
InChIKeySWLMUYACZKCSHZ-INIZCTEOSA-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 (CHEBI:59288) is a butoconazole (CHEBI:3240)
(S)-butoconazole (CHEBI:59288) is enantiomer of (R)-butaconazole (CHEBI:59287)
Incoming Relation(s)
(R)-butaconazole (CHEBI:59287) is enantiomer of (S)-butoconazole (CHEBI:59288)
IUPAC Name 
1-{(2S)-4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)sulfanyl]butyl}-1H-imidazole
Registry NumbersSources
Reaxys:6374957Reaxys