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1-Methylxanthine-(methyl-[13C,d3])

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General Information
Catalog: BLP-005613
CAS: 1202865-49-3
Molecular Formula: [13C]C5H3D3N4O2
Molecular Weight: 170.15

Chemical Structure

Description	1-Methylxanthine-(methyl-[13C,d3]) is intended for use as an internal standard for 1-Methylxanthine. 1-Methylxanthine is a major metabolite of Theophylline.
Synonyms	2,6-Dihydroxy-1-methylpurine-(methyl-13C,d3)
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)/i1+1D3
InChI Key	MVOYJPOZRLFTCP-KQORAOOSSA-N
Melting Point	≥300°C
Purity	97% by CP; 98% atom 13C
Appearance	Dark Yellow Solid
Storage	Store at -20°C