Analyte Name

Deshydroxypentanyl Posaconazole

CAS Number

161532-56-5

Molecular Formula

C32H32F2N8O3

Molecular Weight

614.65

Accurate Mass

614.26

SMILES

O=C1N(C2=CC=C(N3CCN(C4=CC=C(OC[C@H]5C[C@](CN6C=NC=N6)(C7=C(F)C=C(F)C=C7)OC5)C=C4)CC3)C=C2)C=NN1

InChI

InChI=1S/C32H32F2N8O3/c33-24-1-10-29(30(34)15-24)32(19-41-21-35-20-37-41)16-23(18-45-32)17-44-28-8-6-26(7-9-28)40-13-11-39(12-14-40)25-2-4-27(5-3-25)42-22-36-38-31(42)43/h1-10,15,20-23H,11-14,16-19H2,(H,38,43)/t23-,32+/m1/s1

IUPAC

4-(4-(4-(4-(((3R,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat