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Product Overview

Product Code

TRC-H996142

CAS Number

94820-66-3

Product Format

Neat

Molecular Formula

C19 2H5 H11 O5

Molecular Weight

329.36

Product Categories

TRC, Stable Isotope Labelled Analytical Standards, Anticoagulants, Bioactive small molecules, Anticoagulants, Stable isotopes, API Reference Standards & Research Materials

Product Type

Stable Isotope Labelled, Metabolite, API

Unlabelled CAS Number

17834-04-7

Documentation

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Product Information

Chemical Data

Analyte Name

8-Hydroxywarfarin phenyl-d5

CAS Number

94820-66-3

Molecular Formula

C19 2H5 H11 O5

Molecular Weight

329.36

Accurate Mass

329.1312

SMILES

[2H]c1c([2H])c([2H])c([C@H](CC(=O)C)C2=C(O)c3cccc(O)c3OC2=O)c([2H])c1[2H]

InChI

InChI=1S/C19H16O5/c1-11(20)10-14(12-6-3-2-4-7-12)16-17(22)13-8-5-9-15(21)18(13)24-19(16)23/h2-9,14,21-22H,10H2,1H3/t14-/m0/s1/i2D,3D,4D,6D,7D

IUPAC

4,8-dihydroxy-3-[(1S)-3-oxo-1-(2,3,4,5,6-pentadeuteriophenyl)butyl]chromen-2-one

Unlabelled CAS Number

17834-04-7

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite; Stable Isotope Labelled

Product Format

Neat

Product Description

A labelled minor CYP1A2 metabolite of Warfarin.

References: Nelsestuen, G., et al.: J. Biol. Chem., 249, 6347

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8-Hydroxy Warfarin-d5

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