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CHEBI:83691 - (S)-sertaconazole nitrate

ChEBI IDCHEBI:83691
ChEBI Name(S)-sertaconazole nitrate
Stars
ASCII Name(S)-sertaconazole nitrate
DefinitionAn organic nitrate salt obtained by reaction of equimolar amounts of (S)-sertaconazole and nitric acid.
Last Modified22 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-;/m1./s1
InChIKeyHAAITRDZHUANGT-FSRHSHDFSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-sertaconazole nitrate (CHEBI:83691) has part (S)-sertaconazole(1+) (CHEBI:83698)
(S)-sertaconazole nitrate (CHEBI:83691) is a organic nitrate salt (CHEBI:51085)
(S)-sertaconazole nitrate (CHEBI:83691) is enantiomer of arasertaconazole nitrate (CHEBI:83692)
Incoming Relation(s)
sertaconazole nitrate (CHEBI:83687) has part (S)-sertaconazole nitrate (CHEBI:83691)
arasertaconazole nitrate (CHEBI:83692) is enantiomer of (S)-sertaconazole nitrate (CHEBI:83691)
IUPAC Name 
1-[(2S)-2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole nitrate