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Product Overview

Product Code

TRC-A168213

CAS Number

1216442-68-0

Product Format

Neat

Molecular Formula

C8H7D3N4O4

Molecular Weight

229.21

API Family

Uracil, Caffeine

Product Categories

TRC, Additional pharmaceutical toxicology reference materials, Impurity Reference Materials , Additional Toxicology Reference Materials , Additional pharmaceutical toxicology research materials, Stable isotopes, Stable Isotope Labelled Analytical Standards

Product Type

Stable Isotope Labelled, Metabolite, API

Unlabelled CAS Number

85438-96-6

Drug Type

Additional Drugs

Documentation

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Product Information

Chemical Data

Analyte Name

5-Acetylamino-6-formylamino-3-methyl-d3-uracil

CAS Number

1216442-68-0

Molecular Formula

C8H7D3N4O4

Molecular Weight

229.21

SMILES

O=C(NC(NC([H])=O)=C1NC(C)=O)N(C([2H])([2H])[2H])C1=O

InChI

InChI=1S/C8H10N4O4/c1-4(14)10-5-6(9-3-13)11-8(16)12(2)7(5)15/h3H,1-2H3,(H,9,13)(H,10,14)(H,11,16)/i2D3

IUPAC

N-[6-formamido-2,4-dioxo-3-(trideuteriomethyl)-1H-pyrimidin-5-yl]acetamide

Unlabelled CAS Number

85438-96-6

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

API Family

Uracil; Caffeine

Product Description

Labelled metabolite of Caffeine (C080100).

References: Grant, D.M., et al.: Clin. Pharm. and Ther., 33, 591 (1983),

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