N-(3-Chloro-benzyl) Econazole Chloride

Analyte Name

1-(4-Chlorobenzyl)-3-[(2RS)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]imidazolium Chloride

Molecular Formula

C25 H21 Cl4 N2 O . Cl

Molecular Weight

542.71

Accurate Mass

540.0097

SMILES

[Cl-].Clc1ccc(COC(C[n+]2ccn(Cc3ccc(Cl)cc3)c2)c4ccc(Cl)cc4Cl)cc1

InChI

InChI=1S/C25H21Cl4N2O.ClH/c26-20-5-1-18(2-6-20)14-30-11-12-31(17-30)15-25(23-10-9-22(28)13-24(23)29)32-16-19-3-7-21(27)8-4-19;/h1-13,17,25H,14-16H2;1H/q+1;/p-1

IUPAC

1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-3-[(4-chlorophenyl)methyl]imidazol-1-ium;chloride

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Econazole Nitrate