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Product Overview

Product Code

CDN-D-7513

CAS Number

1132662-08-8

Product Format

Neat

Molecular Formula

C15 2H11 H11 F N3 O6

Molecular Weight

370.42

Product Categories

Stable isotopes, Stable Isotope Labelled Analytical Standards, CDN

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

154361-50-9

Purity

99 atom % D, min 98% Chemical Purity

Documentation

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Product Information

Analyte Data

Analyte Name

Capecitabine-d11

CAS Number

1132662-08-8

Molecular Formula

C15 2H11 H11 F N3 O6

Molecular Weight

370.42

Accurate Mass

370.2183

SMILES

[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])OC(=O)NC1=NC(=O)N(C=C1F)[C@@H]2O[C@H](C)[C@@H](O)[C@H]2O

InChI

InChI=1S/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1/i1D3,3D2,4D2,5D2,6D2

IUPAC

1,1,2,2,3,3,4,4,5,5,5-undecadeuteriopentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate

Unlabelled CAS Number

154361-50-9

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

99 atom % D, min 98% Chemical Purity

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Capecitabine-d11 (pentyl-d11)

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