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3-Methylxanthine-[13C4,15N3]

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General Information
Catalog: BLP-006589
CAS: 1173018-93-3
Molecular Formula: C2[13C]4H6N[15N]3O2
Molecular Weight: 173.09

Chemical Structure

Synonyms	3-Methylxanthine-2,4,5,6-13C4, 1,3,9-15N3
IUPAC Name	3-methyl-3,7-dihydro-1H-purine-2,6-dione-2,4,5,6-13C4-1,3,9-15N3
Related CAS	1076-22-8 (unlabelled)
Canonical SMILES	CN1C2=C(C(=O)NC1=O)NC=N2
InChI	InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12)/i3+1,4+1,5+1,6+1,8+1,9+1,10+1
InChI Key	GMSNIKWWOQHZGF-UDDVCBLJSA-N
Purity	98% by CP; 98% atom 13C; 98% atom 15N
Density	1.5±0.1 g/cm3
Storage	Store at -20°C