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CHEBI:82872 - (S)-econazole

ChEBI IDCHEBI:82872
ChEBI Name(S)-econazole
Stars
ASCII Name(S)-econazole
DefinitionA 1-{2-(4-chlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl}imidazole that is the (S)-enantiomer of econazole.
Last Modified22 July 2015
SubmitterSteve
DownloadsMolfile
FormulaC18H15Cl3N2O
Net Charge0
Average Mass381.690
Monoisotopic Mass380.02500
SMILESClc1ccc(CO[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H15Cl3N2O/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/h1-9,12,18H,10-11H2/t18-/m1/s1
InChIKeyLEZWWPYKPKIXLL-GOSISDBHSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-econazole (CHEBI:82872) is a 1-{2-(4-chlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl}imidazole (CHEBI:82873)
(S)-econazole (CHEBI:82872) is enantiomer of (R)-econazole (CHEBI:82877)
Incoming Relation(s)
(S)-econazole nitrate (CHEBI:82871) has part (S)-econazole (CHEBI:82872)
econazole (CHEBI:4754) has part (S)-econazole (CHEBI:82872)
(R)-econazole (CHEBI:82877) is enantiomer of (S)-econazole (CHEBI:82872)
IUPAC Name 
1-[(2S)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole
Registry NumbersSources
Reaxys:21389136Reaxys