Itraconazole Didioxolonyl Impurity

Analyte Name

Itraconazole Didioxolonyl Impurity

Molecular Formula

C44 H41 Cl4 N11 O6

Molecular Weight

961.678

Accurate Mass

959.2

SMILES

Clc1ccc(c(Cl)c1)[C@@]2(Cn3cncn3)OC[C@H](COc4ccc(cc4)N5CCN(CC5)c6ccc(cc6)N7C=NN(C[C@H]8CO[C@@](Cn9cncn9)(O8)c%10ccc(Cl)cc%10Cl)C7=O)O2

InChI

InChI=1S/C44H41Cl4N11O6/c45-30-1-11-38(40(47)17-30)43(23-56-27-49-25-51-56)62-21-36(64-43)19-59-42(60)58(29-53-59)34-5-3-32(4-6-34)54-13-15-55(16-14-54)33-7-9-35(10-8-33)61-20-37-22-63-44(65-37,24-57-28-50-26-52-57)39-12-2-31(46)18-41(39)48/h1-12,17-18,25-29,36-37H,13-16,19-24H2/t36-,37-,43-,44-/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]-2-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl]-1,2,4-triazol-3-one

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat