Itraconazole Desethylene-seco-piperazine Mono-N-formyl Impurity

Analyte Name

Itraconazole Desethylene-seco-Piperazine mono-N-Formyl

CAS Number

1199350-00-9

Molecular Formula

C34 H36 Cl2 N8 O5

Molecular Weight

707.61

Accurate Mass

706.2186

SMILES

CCC(C)N1N=CN(C1=O)c2ccc(NCCN(C=O)c3ccc(OC[C@H]4CO[C@@](Cn5cncn5)(O4)c6ccc(Cl)cc6Cl)cc3)cc2

InChI

InChI=1S/C34H36Cl2N8O5/c1-3-24(2)44-33(46)43(22-40-44)28-7-5-26(6-8-28)38-14-15-41(23-45)27-9-11-29(12-10-27)47-17-30-18-48-34(49-30,19-42-21-37-20-39-42)31-13-4-25(35)16-32(31)36/h4-13,16,20-24,30,38H,3,14-15,17-19H2,1-2H3/t24?,30-,34-/m0/s1

IUPAC

N-[2-[4-(1-butan-2-yl-5-oxo-1,2,4-triazol-4-yl)anilino]ethyl]-N-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]formamide

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat

API Family

Itraconazole