Basic Information |
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| Product Name： | THEOPHYLLINE (2-13C, 1,3-15N2) |
| English Synonyms： | THEOPHYLLINE (2-13C, 1,3-15N2) |
| MDL Number.： | MFCD00145397 |
| H bond acceptor： | 6 |
| H bond donor： | 1 |
| Smile： | C[15n]1c2c(c(=O)[15n]([13c]1=O)C)[nH]cn2 |
| 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 |
| InChiKey： | InChIKey=ZFXYFBGIUFBOJW-NBLDSOAPSA-N |
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