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1,3,7-Trimethyluric Acid-[d3]

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General Information
Catalog: BLP-010193
CAS: 188297-95-2
Molecular Formula: C8H7D3N4O3
Molecular Weight: 213.21

Chemical Structure

Description	1,3,7-Trimethyluric Acid-[d3] is a labelled 1,3,7-Trimethyluric acid. 1,3,7-Trimethyluric acid is a purine alkaloid that is produced in some plants and occurs as a minor metabolite of caffeine in humans.
Synonyms	7,9-Dihydro-1,3-dimethyl-7-(methyl-d3)-1H-purine-2,6,8(3H)-trione
IUPAC Name	1,3-dimethyl-7-(trideuteriomethyl)-9H-purine-2,6,8-trione
Related CAS	5415-44-1 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])N1C2=C(NC1=O)N(C(=O)N(C2=O)C)C
Canonical SMILES	CN1C2=C(NC1=O)N(C(=O)N(C2=O)C)C
InChI	InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14)/i1D3
InChI Key	BYXCFUMGEBZDDI-FIBGUPNXSA-N
Melting Point	340-345°C (lit.)(dec.)
Solubility	Soluble in DMSO (Slightly), Water (Slightly)
Appearance	White Solid
Application	A caffeine metabolite.
Storage	Store at -20°C