CHEBI:82871 - (S)-econazole nitrate

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ChEBI Name (S)-econazole nitrate
ChEBI ID CHEBI:82871
ChEBI ASCII Name (S)-econazole nitrate
Definition An organic nitrate salt prepared from equimolar amounts of (S)-econazole and nitric acid.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C18H16Cl3N3O4
Net Charge 0
Average Mass 444.69600
Monoisotopic Mass 443.02064
InChI InChI=1S/C18H15Cl3N2O.HNO3/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21;2-1(3)4/h1-9,12,18H,10-11H2;(H,2,3,4)/t18-;/m1./s1
InChIKey DDXORDQKGIZAME-GMUIIQOCSA-N
SMILES O[N+]([O-])=O.Clc1ccc(CO[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
ChEBI Ontology
Outgoing (S)-econazole nitrate (CHEBI:82871) has part (S)-econazole (CHEBI:82872)
(S)-econazole nitrate (CHEBI:82871) is a organic nitrate salt (CHEBI:51085)
(S)-econazole nitrate (CHEBI:82871) is enantiomer of (R)-econazole nitrate (CHEBI:82870)
Incoming econazole nitrate (CHEBI:4755) has part (S)-econazole nitrate (CHEBI:82871)
(R)-econazole nitrate (CHEBI:82870) is enantiomer of (S)-econazole nitrate (CHEBI:82871)
IUPAC Name
1-[(2S)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole nitrate
Last Modified
09 July 2015