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CHEBI:83692 - arasertaconazole nitrate

ChEBI IDCHEBI:83692
ChEBI Namearasertaconazole nitrate
Stars
DefinitionAn organic nitrate salt obtained by reaction of equimolar amounts of arasertaconazole and nitric acid. The active R-enantiomer of sertaconazole nitrate that is used for treatment of vulvovaginal candidiasis. The racemate itself is also used as a broad-spectrum antifungal drug.
Last Modified23 July 2015
SubmitterSteve
DownloadsMolfile
FormulaC20H15Cl3N2OS.HNO3
Net Charge0
Average Mass500.791
Monoisotopic Mass498.99271
SMILESClc1ccc([C@H](Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1.O=[N+]([O-])O
InChIInChI=1S/C20H15Cl3N2OS.HNO3/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22;2-1(3)4/h1-8,11-12,19H,9-10H2;(H,2,3,4)/t19-;/m0./s1
InChIKeyHAAITRDZHUANGT-FYZYNONXSA-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.
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.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
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)
arasertaconazole nitrate (CHEBI:83692) has part arasertaconazole(1+) (CHEBI:83699)
arasertaconazole nitrate (CHEBI:83692) is a conazole antifungal drug (CHEBI:87071)
arasertaconazole nitrate (CHEBI:83692) is a imidazole antifungal drug (CHEBI:87069)
arasertaconazole nitrate (CHEBI:83692) is a organic nitrate salt (CHEBI:51085)
arasertaconazole nitrate (CHEBI:83692) is enantiomer of (S)-sertaconazole nitrate (CHEBI:83691)
Incoming Relation(s)
sertaconazole nitrate (CHEBI:83687) has part arasertaconazole nitrate (CHEBI:83692)
(S)-sertaconazole nitrate (CHEBI:83691) is enantiomer of arasertaconazole nitrate (CHEBI:83692)
IUPAC Name 
1-[(2R)-2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole nitrate
Synonym  Source
arasertaconazole mononitrateChEBI
Manual XrefsDatabases
EP2436374Patent
WO2012041966Patent
Registry NumbersSources
Reaxys:14534525Reaxys