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Nitrogen-15
1,3-Dimethyluric acid-2,4,5,6-[13C4]-1,3,9-[15N3]

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1,3-Dimethyluric acid-2,4,5,6-[13C4]-1,3,9-[15N3]

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General Information
Catalog: BLP-005571
CAS: 1173019-16-3
Molecular Formula: [13C]4C3H8[15N]3NO3
Molecular Weight: 203.11

Chemical Structure

Description	1,3-Dimethyluric acid-2,4,5,6-[13C4]-1,3,9-[15N3] is a labelled 1,3-Dimethyluric acid. 1,3-Dimethyluric acid is a product of theophylline metabolism in man. 1,3-Dimethyluric acid is one of the purine components in urinary calculi.
Synonyms	1,3-Dimethyl-2,6,8-trihydroxypurine-2,4,5,6-13C4, 1,3,9-15N3
IUPAC Name	1,3-dimethyl-7,9-dihydropurine-2,6,8-trione
Related CAS	944-73-0 (unlabelled)
Canonical SMILES	CN1C2=C(C(=O)N(C1=O)C)NC(=O)N2
InChI	InChI=1S/C7H8N4O3/c1-10-4-3(8-6(13)9-4)5(12)11(2)7(10)14/h1-2H3,(H2,8,9,13)/i3+1,4+1,5+1,7+1,9+1,10+1,11+1
InChI Key	OTSBKHHWSQYEHK-JCRQFRHWSA-N
Melting Point	>300°C
Purity	≥98% by CP; ≥98% atom 13C; ≥98% atom 15N
Appearance	Solid
Storage	Store at -20°C