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CHEBI:82888 - (S)-miconazole nitrate

ChEBI IDCHEBI:82888
ChEBI Name(S)-miconazole nitrate
Stars
ASCII Name(S)-miconazole nitrate
DefinitionAn organic nitrate salt prepared from equimolar amounts of (S)-miconazole and nitric acid.
Last Modified5 September 2014
SubmitterSteve
DownloadsMolfile
FormulaC18H14Cl4N2O.HNO3
Net Charge0
Average Mass479.147
Monoisotopic Mass476.98167
SMILESClc1ccc(CO[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.O=[N+]([O-])O
InChIInChI=1S/C18H14Cl4N2O.HNO3/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22;2-1(3)4/h1-8,11,18H,9-10H2;(H,2,3,4)/t18-;/m1./s1
InChIKeyMCCACAIVAXEFAL-GMUIIQOCSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-miconazole nitrate (CHEBI:82888) has part (S)-miconazole (CHEBI:82897)
(S)-miconazole nitrate (CHEBI:82888) is a organic nitrate salt (CHEBI:51085)
(S)-miconazole nitrate (CHEBI:82888) is enantiomer of (R)-miconazole nitrate (CHEBI:82886)
Incoming Relation(s)
miconazole nitrate (CHEBI:6924) has part (S)-miconazole nitrate (CHEBI:82888)
(R)-miconazole nitrate (CHEBI:82886) is enantiomer of (S)-miconazole nitrate (CHEBI:82888)
IUPAC Name 
1-[(2S)-2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole nitrate