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Product Overview

Product Code

TRC-T798000

CAS Number

188297-95-2

Product Format

Neat

Molecular Formula

C8 2H3 H7 N4 O3

Molecular Weight

213.21

API Family

Caffeine

Product Categories

Caffeine & caffeine metabolites, Impurity Reference Materials , Stable isotopes, Stable Isotope Labelled Analytical Standards, TRC, Pharmaceutical Toxicology Reference Materials

Product Type

Stable Isotope Labelled, Metabolite

Unlabelled CAS Number

5415-44-1

Documentation

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Product Information

Chemical Data

Analyte Name

1,3,7-Trimethyluric Acid-d3

CAS Number

188297-95-2

Molecular Formula

C8 2H3 H7 N4 O3

Molecular Weight

213.21

Accurate Mass

213.0941

SMILES

[2H]C([2H])([2H])N1C(=O)NC2=C1C(=O)N(C)C(=O)N2C

InChI

InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14)/i1D3

IUPAC

1,3-dimethyl-7-(trideuteriomethyl)-9H-purine-2,6,8-trione

Unlabelled CAS Number

5415-44-1

SIL Type

Deuterium

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite; Stable Isotope Labelled

Product Format

Neat

API Family

Caffeine

Product Description

A caffeine metabolite.

References: Regal, K.A., et al.: J. of Chromatography B, 708, 75 (1998)

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