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Product Overview

Product Code

TRC-D296525

CAS Number

1021933-98-1

Product Format

Neat

Molecular Formula

C22 H33 N O8

Molecular Weight

439.50

Product Categories

TRC, Additional endogenous metabolites

Product Type

Metabolite

Documentation

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Product Information

Chemical Data

Analyte Name

O-Desmethyl-(rac-venlafaxine) Glucuronide

CAS Number

1021933-98-1

Molecular Formula

C22 H33 N O8

Molecular Weight

439.50

Accurate Mass

439.2206

SMILES

CN(C)CC(c1ccc(OC2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)cc1)C3(O)CCCCC3

InChI

InChI=1S/C22H33NO8/c1-23(2)12-15(22(29)10-4-3-5-11-22)13-6-8-14(9-7-13)30-21-18(26)16(24)17(25)19(31-21)20(27)28/h6-9,15-19,21,24-26,29H,3-5,10-12H2,1-2H3,(H,27,28)/t15?,16-,17-,18+,19-,21?/m0/s1

IUPAC

(2S,3S,4S,5R)-6-[4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Product Description

A metabolite of Venlafaxine, a selective serotonin noradrenaline reuptake inhibitor. Used as an antidepressant.

References: Kelsey, J., et al.: J. Clin. Psychopharmacol., 16, 21 (1996), Long, C., et al.: J. Anal. Toxicol., 21, 166

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rac O-Desmethyl Venlafaxine Beta-D-Glucuronide

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