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Product Overview

Product Code

TRC-P689602

CAS Number

1133712-26-1

Product Format

Neat

Molecular Formula

C37H38D4F2N8O4

Molecular Weight

705.00

API Family

Posaconazole

Product Categories

TRC, Pharmaceutical Reference Standards, Chiral Molecules , Forensic and Toxicology Reference Materials, Antimycotics, Azoles, Stable isotopes, Stable Isotope Labelled Analytical Standards, Pharmaceutical Toxicology Reference Materials , API Reference Standards & Research Materials

Product Type

Bioactive small molecule, Stable Isotope Labelled, API

Unlabelled CAS Number

171228-49-2

Purity

>95% (HPLC)

Drug Type

Antifungals

Documentation

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Product Information

Chemical Data

Analyte Name

Posaconazole-D4

CAS Number

1133712-26-1

Molecular Formula

C37H38D4F2N8O4

Molecular Weight

705.00

Accurate Mass

704.3548

Flash Point

-20

SMILES

[2H]c1c([2H])c(N2C=NN([C@@H](CC)[C@H](C)O)C2=O)c([2H])c([2H])c1N3CCN(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/i5D,6D,7D,8D

IUPAC

2-[(2S,3S)-2-hydroxypentan-3-yl]-4-[2,3,5,6-tetradeuterio-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]-1,2,4-triazol-3-one

Unlabelled CAS Number

171228-49-2

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Tariff Code

28459010

Product Type

Stable Isotope Labelled

Product Format

Neat

API Family

Posaconazole

Purity

>95% (HPLC)

Product Description

Orally active labelled triazole antifungal.

References: Cacciapuoti, A., et al.: Antimicrob. Agents Chemother., 44, 2017 (2000), Herbrecht, R., et al.: Int. J. Clin. Pract., 58, 612 (2004), Panackal, A., et al.: J. Clin. Microbiol., 44, 1740

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