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Product Overview

Product Code

CDN-D-5972

CAS Number

72238-85-8

Product Format

Neat

Molecular Formula

C8 2H9 H N4 O2

Molecular Weight

203.25

Product Categories

Drugs, Stable isotopes, Stable Isotope Labelled Analytical Standards, CDN

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

58-08-2

Purity

99 atom % D, min 98% Chemical Purity

Documentation

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Product Information

Analyte Data

Analyte Name

Caffeine-d9

CAS Number

72238-85-8

Molecular Formula

C8 2H9 H N4 O2

Molecular Weight

203.25

Accurate Mass

203.1369

SMILES

[2H]C([2H])([2H])N1C(=O)N(c2ncn(c2C1=O)C([2H])([2H])[2H])C([2H])([2H])[2H]

InChI

InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3/i1D3,2D3,3D3

IUPAC

1,3,7-tris(trideuteriomethyl)purine-2,6-dione

Unlabelled CAS Number

58-08-2

SIL Type

Deuterium

Product Data

Storage Temperature

Room Temperature

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

99 atom % D, min 98% Chemical Purity

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Product Overview

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Analyte Data

Product Data

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Caffeine-d9 (1,3,7-trimethyl-d9)

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