basic_info |
|
| Product_Name: | N-METHYL-N-BETA,GAMMA-DIHYDROXYPROPYL THEOPHYLLINYL-8-ACETAMIDE |
| CAS: | 106163-62-6 |
| EnglishSynonyms: | N-METHYL-N-BETA,GAMMA-DIHYDROXYPROPYL THEOPHYLLINYL-8-ACETAMIDE |
| pro_mdlNumber: | MFCD01694458 |
| pro_acceptors: | 10 |
| pro_donors: | 3 |
| pro_smile: | Cn1c2c(c(=O)n(c1=O)C)[nH]c(n2)CC(=O)N(C)CC(CO)O |
| InChi: | InChI=1S/C13H19N5O5/c1-16(5-7(20)6-19)9(21)4-8-14-10-11(15-8)17(2)13(23)18(3)12(10)22/h7,19-20H,4-6H2,1-3H3,(H,14,15) |
| InChiKey: | InChIKey=NIVKQBLZRGGTBG-UHFFFAOYSA-N |
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