1,7-Dimethylxanthine (Paraxanthine) (2,4,5,6-13C4; 1,3,9-15N3)

Catalog Number	ACM1173018795
CAS	1173018-79-5
Synonyms	1,7-Dimethylxanthine-2,4,5,6-13C4-1,3,9-15N3; 1,7-Dimethylxanthine-[13C4,15N3] (para-xanthine)
Molecular Weight	187.12
Molecular Formula	13C4C3H815N3NO2
InChI	InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)/i4+1,5+1,6+1,7+1,8+1,9+1,11+1
InChI Key	QUNWUDVFRNGTCO-UDYOVZSYSA-N
Melting Point	294-296 °C (561-565 °F)
Purity	98%
Appearance	Crystal
Isomeric SMILES	CN1C=[15N][13C]2=[13C]1[13C](=O)[15N]([13C](=O)[15NH]2)C
Isotopic Enrichment	98 atom % 13C; 98 atom % 15N
Stability	Stable if stored under recommended conditions.
Unlabeled CAS	611-59-6
Unlabeled Synonyms	1,7-Dimethyl-1H-purine-2,6-dione; 2,6-Dihydroxy-1,7-dimethylpurine; Paraxanthine

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1,7-Dimethylxanthine (Paraxanthine) (2,4,5,6-13C4; 1,3,9-15N3) (1173018-79-5)

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