basic_info |
|
| Product_Name： | 托巴茶碱 |
| CAS： | 105102-21-4 |
| 中文同义词： | 托巴茶碱 |
| EnglishSynonyms： | TORBAFYLLINE |
| pro_mdlNumber： | MFCD00867585 |
| pro_acceptors： | 8 |
| pro_donors： | 1 |
| pro_smile： | CCOCn1cnc2c1c(=O)n(c(=O)n2C)CCCCC(C)(C)O |
| InChi： | InChI=1S/C16H26N4O4/c1-5-24-11-19-10-17-13-12(19)14(21)20(15(22)18(13)4)9-7-6-8-16(2,3)23/h10,23H,5-9,11H2,1-4H3 |
| InChiKey： | InChIKey=QSXXLDDWVCEBFP-UHFFFAOYSA-N |
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