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Product Overview

Product Code

TRC-P335775

CAS Number

72816-95-6

Product Format

Neat

Molecular Formula

C13H12N4O3

Molecular Weight

272.26

API Family

Theobromine

Product Type

Metabolite

Documentation

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Product Information

Analyte Name

N-Phenylmethyl-7-methyluric Acid

CAS Number

72816-95-6

Molecular Formula

C13H12N4O3

Molecular Weight

272.26

Accurate Mass

272.0909

SMILES

CN1C2=C(NC1=O)N(C(=O)NC2=O)CC3=CC=CC=C3

InChI

InChI=1S/C13H12N4O3/c1-16-9-10(14-12(16)19)17(13(20)15-11(9)18)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,14,19)(H,15,18,20)

IUPAC

3-benzyl-7-methyl-9H-purine-2,6,8-trione

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Theobromine

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