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Nitrogen-15
1-Methyluric acid-2,4,5,6-[13C4],1,3,9-[15N3]

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1-Methyluric acid-2,4,5,6-[13C4],1,3,9-[15N3]

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General Information
Catalog: BLP-005612
CAS: 1173022-91-7
Molecular Formula: [13C]4C2H6[15N]3NO3
Molecular Weight: 189.09

Chemical Structure

Description	1-Methyluric acid-2,4,5,6-[13C4], 1,3,9-[15N3] is a labelled analogue of 1-Methyluric acid. 1-Methyluric acid is a metabolite of Theophylline.
Synonyms	1-Methyl-2,6,8-trihydroxypurine-13C4,15N3 (2,4,5,6-13C4, 1,3,9-15N3)
Related CAS	708-79-2 (unlabelled)
Canonical SMILES	CN1C(=O)C2=C(NC(=O)N2)NC1=O
InChI	InChI=1S/C6H6N4O3/c1-10-4(11)2-3(9-6(10)13)8-5(12)7-2/h1H3,(H,9,13)(H2,7,8,12)/i2+1,3+1,4+1,6+1,8+1,9+1,10+1
InChI Key	QFDRTQONISXGJA-BYSJPOJGSA-N
Purity	≥98% by CP; ≥98% atom 13C; ≥98% atom 15N
Appearance	Off-white powder
Storage	Store at -20°C