basic_info |
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Product_Name: | THEOPHYLLINE (2-13C, 1,3-15N2) |
EnglishSynonyms: | THEOPHYLLINE (2-13C, 1,3-15N2) |
pro_mdlNumber: | MFCD00145397 |
pro_acceptors: | 6 |
pro_donors: | 1 |
pro_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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