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7-Methyl-3-methyluric Acid-[d3]

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General Information
Catalog: BLP-010655
CAS: 383160-11-0
Molecular Formula: C7H5D3N4O3
Molecular Weight: 199.18

Chemical Structure

Description	7-Methyl-3-methyluric Acid-[d3] is the labelled analogue of 7-Methyl-3-methyluric Acid, which is a metabolite of Caffeine.
Synonyms	7-Methyl-3-methyluric Acid D3; 7,9-Dihydro-7-methyl-3-(methyl-d3)-1H-purine-2,6,8(3H)-trione; 3,7-Dimethyluric Acid-d3; 8-Hydroxytheobromine-d3; Ba 2754-d3; Oxytheobromine-d3; 7-Methyl-3-(trideuteromethyl)uric Acid
IUPAC Name	7-methyl-3-(trideuteriomethyl)-9H-purine-2,6,8-trione
Related CAS	13087-49-5 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])N1C2=C(C(=O)NC1=O)N(C(=O)N2)C
Canonical SMILES	CN1C2=C(NC1=O)N(C(=O)NC2=O)C
InChI	InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)11(2)7(14)9-5(3)12/h1-2H3,(H,8,13)(H,9,12,14)/i2D3
InChI Key	HMLZLHKHNBLLJD-BMSJAHLVSA-N
Melting Point	>300°C
Purity	98%
Density	1.656 g/cm3
Solubility	Soluble in Ammonium Hydroxide, DMSO, Water
Appearance	White Solid
Storage	Store at -20°C