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Product Overview

Product Code

TRC-H941807

Product Format

Neat

Molecular Formula

C24 D6 H21 N O8 S

Molecular Weight

495.575

Product Categories

TRC, Stable isotopes

Product Type

Stable Isotope Labelled, API

Unlabelled CAS Number

741693-83-4

Documentation

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Product Information

Chemical Data

Analyte Name

4-Hydroxy Duloxetine-d6 beta-D-Glucuronide

Molecular Formula

C24 D6 H21 N O8 S

Molecular Weight

495.575

Accurate Mass

495.183

SMILES

[2H]c1c([2H])c([2H])c2c(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)c([2H])c([2H])c(OC(CCNC)c4cccs4)c2c1[2H]

InChI

InChI=1S/C24H27NO8S/c1-25-11-10-17(18-7-4-12-34-18)31-15-8-9-16(14-6-3-2-5-13(14)15)32-24-21(28)19(26)20(27)22(33-24)23(29)30/h2-9,12,17,19-22,24-28H,10-11H2,1H3,(H,29,30)/t17?,19-,20-,21+,22-,24+/m0/s1/i2D,3D,5D,6D,8D,9D

IUPAC

(2S,3S,4S,5R,6S)-6-[2,3,5,6,7,8-hexadeuterio-4-[3-(methylamino)-1-thiophen-2-ylpropoxy]naphthalen-1-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Unlabelled CAS Number

741693-83-4

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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4-Hydroxy Duloxetine-d6 beta-D-Glucuronide

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