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1,7-Dimethyluric Acid-[d3]

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General Information
Catalog: BLP-010215
CAS: 1189713-08-3
Molecular Formula: C7H5D3N4O3
Molecular Weight: 199.18

Chemical Structure

Description	1,7-Dimethyluric Acid-[d3] is the labelled analogue of 1,7-Dimethyluric Acid, which is a metabolite of Caffeine.
Synonyms	7,9-Dihydro-1-(methyl-d3)-7-methyl-1H-purine-2,6,8(3H)-trione
IUPAC Name	7-methyl-1-(trideuteriomethyl)-3,9-dihydropurine-2,6,8-trione
Related CAS	33868-03-0 (unlabelled)
Canonical SMILES	CN1C2=C(NC1=O)NC(=O)N(C2=O)C
InChI	InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)9-7(14)11(2)5(3)12/h1-2H3,(H,8,13)(H,9,14)/i2D3
InChI Key	NOFNCLGCUJJPKU-BMSJAHLVSA-N
Melting Point	>300°C (lit.)
Purity	95%
Solubility	Soluble in DMSO (Slightly, Heated), Water (Slightly, Heated)
Appearance	Off-white to Light Grey Solid
Application	A labelled metabolite of Caffeine.
Storage	Store at 2-8°C