Analyte Name

4-Desfluoro Posaconazole

Molecular Formula

C37 H43 F N8 O4

Molecular Weight

682.787

Accurate Mass

682.339

SMILES

CC[C@@H]([C@@H](C)O)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OC[C@@H]5CO[C@](Cn6cncn6)(C5)c7ccccc7F)cc4

InChI

InChI=1S/C37H43FN8O4/c1-3-35(27(2)47)46-36(48)45(26-41-46)31-10-8-29(9-11-31)42-16-18-43(19-17-42)30-12-14-32(15-13-30)49-21-28-20-37(50-22-28,23-44-25-39-24-40-44)33-6-4-5-7-34(33)38/h4-15,24-28,35,47H,3,16-23H2,1-2H3/t27-,28-,35+,37+/m1/s1

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat