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Product Overview

Product Code

TRC-W498497

CAS Number

791013-22-4

Product Format

Neat

Molecular Formula

C19 2H5 H11 O4

Molecular Weight

313.36

Product Categories

TRC, Chiral Molecules , Stable isotopes, Stable Isotope Labelled Analytical Standards

Product Type

Impurity, Stable Isotope Labelled

Unlabelled CAS Number

5543-57-7

Documentation

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Product Information

Chemical Data

Analyte Name

(S)-Warfarin phenyl-d5

CAS Number

791013-22-4

Molecular Formula

C19 2H5 H11 O4

Molecular Weight

313.36

Accurate Mass

313.1362

SMILES

[2H]c1c([2H])c([2H])c([C@H](CC(=O)C)C2=C(O)c3ccccc3OC2=O)c([2H])c1[2H]

InChI

InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/t15-/m0/s1/i2D,3D,4D,7D,8D

IUPAC

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

Unlabelled CAS Number

5543-57-7

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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