N-Desalkyl Itraconazole

Analyte Name

N-Desalkyl Itraconazole

CAS Number

89848-41-9

Molecular Formula

C31 H30 Cl2 N8 O4

Molecular Weight

649.53

Accurate Mass

648.1767

SMILES

Clc1ccc(c(Cl)c1)[C@@]2(Cn3cncn3)OC[C@H](COc4ccc(cc4)N5CCN(CC5)c6ccc(cc6)N7C=NNC7=O)O2

InChI

InChI=1S/C31H30Cl2N8O4/c32-22-1-10-28(29(33)15-22)31(18-40-20-34-19-36-40)44-17-27(45-31)16-43-26-8-6-24(7-9-26)39-13-11-38(12-14-39)23-2-4-25(5-3-23)41-21-35-37-30(41)42/h1-10,15,19-21,27H,11-14,16-18H2,(H,37,42)/t27-,31-/m0/s1

IUPAC

4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1H-1,2,4-triazol-5-one

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Itraconazole

Purity

>95% (HPLC)