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Product Overview

Product Code

TRC-P689600

CAS Number

171228-49-2

Product Format

Neat

Molecular Formula

C37 H42 F2 N8 O4

Molecular Weight

700.78

API Family

Posaconazole

Product Categories

TRC, Antibiotics, Infectious Disease Research Chemicals and Analytical Standards, Pharmaceutical and veterinary compounds and metabolites Reference Materials , Pharmaceutical and Veterinary Residue Reference Materials , API Reference Standards & Research Materials

Product Type

API

Purity

>95% (HPLC)

Drug Type

Antifungals

Documentation

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Product Information

Chemical Data

Analyte Name

Posaconazole

CAS Number

171228-49-2

Molecular Formula

C37 H42 F2 N8 O4

Molecular Weight

700.78

Accurate Mass

700.3297

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,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat

API Family

Posaconazole

Purity

>95% (HPLC)

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