Analyte Name

Posaconazole Imidazolidine Impurity

CAS Number

1388148-29-5

Molecular Formula

C36 H40 F2 N8 O4

Molecular Weight

686.751

Accurate Mass

686.314

SMILES

CC[C@@H]([C@H](C)O)N1N=CN(C1=O)c2ccc(cc2)N3CCN(C3)c4ccc(OC[C@@H]5CO[C@](Cn6cncn6)(C5)c7ccc(F)cc7F)cc4

InChI

InChI=1S/C36H40F2N8O4/c1-3-34(25(2)47)46-35(48)45(23-41-46)30-7-5-28(6-8-30)42-14-15-43(24-42)29-9-11-31(12-10-29)49-18-26-17-36(50-19-26,20-44-22-39-21-40-44)32-13-4-27(37)16-33(32)38/h4-13,16,21-23,25-26,34,47H,3,14-15,17-20,24H2,1-2H3/t25-,26+,34-,36-/m0/s1

IUPAC

4-[4-[3-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]imidazolidin-1-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat