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Product Overview

Product Code

TRC-A168210

CAS Number

85438-96-6

Product Format

Neat

Molecular Formula

C8 H10 N4 O4

Molecular Weight

226.19

API Family

Caffeine

Product Categories

Pharmaceutical and Veterinary Residue Reference Materials , TRC, Additional Toxicology Reference Materials , Additional pharmaceutical toxicology reference materials, Impurity Reference Materials , Additional pharmaceutical toxicology research materials, Pharmaceutical and veterinary compounds and metabolites Reference Materials , Pharmaceutical, Veterinary Compound & Metabolite Reference Materials , API Reference Standards & Research Materials

Product Type

Metabolite, API

Purity

>95% (HPLC)

Drug Type

Additional Drugs

Documentation

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Product Information

Chemical Data

Analyte Name

5-Acetylamino-6-formylamino-3-methyluracil

CAS Number

85438-96-6

Molecular Formula

C8 H10 N4 O4

Molecular Weight

226.19

Accurate Mass

226.0702

SMILES

CN1C(=O)NC(=C(NC(=O)C)C1=O)NC=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)

IUPAC

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

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Caffeine

Purity

>95% (HPLC)

Product Description

Metabolite of Caffeine (C080100).

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

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