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1-Methyl Xanthine-[d3]

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General Information
Catalog: BLP-012966
CAS: 1216430-61-3
Molecular Formula: C6H3D3N4O2
Molecular Weight: 169.16

Chemical Structure

Description	1-Methyl Xanthine-[d3] is the labelled analogue of 1-Methyl Xanthine, which is a metabolite of Theophylline.
Synonyms	1-Methyl Xanthine D3; 3,9-Dihydro-1-(methyl-d3)-1H-purine-2,6-dione; 2,6-Dihydroxy-1-(methyl-d3)purine; 1-Methylxanthine-d3; 1-MX-d3
IUPAC Name	1-(trideuteriomethyl)-3,7-dihydropurine-2,6-dione
Related CAS	6136-37-4 (unlabelled)
Canonical SMILES	CN1C(=O)C2=C(NC1=O)N=CN2
InChI	InChI=1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12)/i1D3
InChI Key	MVOYJPOZRLFTCP-FIBGUPNXSA-N
Melting Point	>300°C (dec.)
Purity	97%; ≥99% atom D
Solubility	Soluble in DMSO (Slightly, Heated)
Appearance	Yellow to Dark Yellow Solid
Storage	Store at 2-8°C