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1-Methyluric Acid-[d3]

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General Information
Catalog: BLP-010290
CAS: 1189480-64-5
Molecular Formula: C6H3D3N4O3
Molecular Weight: 185.16

Chemical Structure

Description	1-Methyluric Acid-[d3] is a labelled analogue of 1-Methyluric acid. 1-Methyluric acid is a metabolite of Theophylline.
Synonyms	7,9-Dihydro-1-(methyl-d3)-1H-purine-2,6,8(3H)-trione; 1-(Methyl-d3)uric Acid
IUPAC Name	1-(trideuteriomethyl)-7,9-dihydro-3H-purine-2,6,8-trione
Related CAS	708-79-2 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])N1C(=O)C2=C(NC(=O)N2)NC1=O
Canonical SMILES	CN1C(=O)C2=C(NC(=O)N2)NC1=O
InChI	InChI=1S/C6H6N4O3/c1-10-4(11)2-3(9-6(10)13)8-5(12)7-2/h1H3,(H,9,13)(H2,7,8,12)/i1D3
InChI Key	QFDRTQONISXGJA-FIBGUPNXSA-N
Melting Point	>300°C (lit.)(dec.)
Purity	95%
Appearance	Brownish Yellow Solid
Application	A labelled metabolite of Theophylline.