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Product Overview

Product Code

TRC-M831525

CAS Number

99043-04-6

Product Format

Neat

Molecular Formula

C23 H28 O12

Molecular Weight

496.46

API Family

Mycophenolic Sodium

Product Categories

TRC, Additional endogenous metabolites, Pharmaceutical Toxicology Reference Materials , API Reference Standards & Research Materials

Product Type

Metabolite, API

Purity

>95% (HPLC)

Drug Type

Immunosuppressants

Documentation

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Product Information

Chemical Data

Analyte Name

Mycophenolic acid acyl-beta-D-glucuronide

CAS Number

99043-04-6

Molecular Formula

C23 H28 O12

Molecular Weight

496.46

Accurate Mass

496.1581

SMILES

COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)\CCC(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O

InChI

InChI=1S/C23H28O12/c1-9(4-6-11-15(25)14-12(8-33-22(14)31)10(2)19(11)32-3)5-7-13(24)34-23-18(28)16(26)17(27)20(35-23)21(29)30/h4,16-18,20,23,25-28H,5-8H2,1-3H3,(H,29,30)/b9-4+/t16-,17-,18+,20-,23+/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoyl]oxyoxane-2-carboxylic acid

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Mycophenolic Sodium

Purity

>95% (HPLC)

Product Description

A metabolite of Mycophenolic Acid.

References: Shipkova, M., et al.: Therap. Drug Monit., 24, 390 (2002), Picard, N., et al.: Drug Metab. Dispos., 33, 139 (2005),

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Mycophenolic Acid Acyl-Beta-D-glucuronide

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