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1-Methyluric Acid-[d3]

General Information
Catalog: BLP-010290
CAS: 1189480-64-5
Molecular Formula: C6H3D3N4O3
Molecular Weight: 185.16
Chemical Structure
1-Methyluric Acid-[d3]
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.

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