Theophylline (2-13C; 1,3-15N2)

Catalog Number	ACM84718956
CAS	84718-95-6
Synonyms	Theophylline-1,3-15N2-2-13C
Molecular Weight	183.14
Molecular Formula	C613CH8N215N2O2
InChI	InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)/i7+1,10+1,11+1
InChI Key	ZFXYFBGIUFBOJW-NBLDSOAPSA-N
Purity	98%
Isomeric SMILES	C[15N]1C2=C(C(=O)[15N]([13C]1=O)C)NC=N2
Isotopic Enrichment	99 atom % 13C; 98+ atom % 15N
Stability	Stable if stored under recommended conditions.
Unlabeled CAS	58-55-9

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Theophylline (2-13C; 1,3-15N2) (84718-95-6)

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