Product Code

TRC-P689618

CAS Number

171228-50-5

Product Format

Neat

Molecular Formula

C37 H42 F2 N8 O4

Molecular Weight

700.777

Product Categories

TRC, Pharmaceutical Toxicology Reference Materials

Product Type

Impurity

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

(R)-Posaconazole

CAS Number

171228-50-5

Molecular Formula

C37 H42 F2 N8 O4

Molecular Weight

700.777

Accurate Mass

700.33

SMILES

CC[C@H]([C@H](C)O)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OC[C@@H]5CO[C@](Cn6cncn6)(C5)c7ccc(F)cc7F)cc4

InChI

InChI=1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,48H,3,14-17,19-22H2,1-2H3/t26-,27+,35+,37-/m0/s1

IUPAC

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

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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(R)-Posaconazole

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