Itraconazole Imidazolium Impurity

Analyte Name

Itraconazole Imidazolium Impurity

Molecular Formula

C34 H35 Cl2 N8 O4 . Cl

Molecular Weight

726.052

Accurate Mass

724.185

SMILES

[Cl-].CCC(C)N1N=CN(C1=O)c2ccc(cc2)[N+]3=CN(CC3)c4ccc(OC[C@H]5CO[C@@](Cn6cncn6)(O5)c7ccc(Cl)cc7Cl)cc4

InChI

InChI=1S/C34H35Cl2N8O4.ClH/c1-3-24(2)44-33(45)43(22-39-44)28-7-5-26(6-8-28)40-14-15-41(23-40)27-9-11-29(12-10-27)46-17-30-18-47-34(48-30,19-42-21-37-20-38-42)31-13-4-25(35)16-32(31)36;/h4-13,16,20-24,30H,3,14-15,17-19H2,1-2H3;1H/q+1;/p-1/t24?,30-,34-;/m0./s1

IUPAC

2-butan-2-yl-4-[4-[3-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4,5-dihydroimidazol-1-ium-1-yl]phenyl]-1,2,4-triazol-3-one;chloride

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat