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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