basic_info |
|
| Product_Name: | TREWIASINE |
| CAS: | 78987-26-5 |
| EnglishSynonyms: | TREWIASINE |
| pro_mdlNumber: | MFCD00879114 |
| pro_acceptors: | 14 |
| pro_donors: | 2 |
| pro_smile: | C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/C(c3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H](C4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)C(C)C)C)OC)\C)OC)(NC(=O)O2)O |
| InChi: | InChI=1S/C37H52ClN3O11/c1-19(2)33(43)40(7)22(5)34(44)51-28-17-29(42)41(8)24-15-23(16-25(47-9)30(24)38)31(49-11)20(3)13-12-14-27(48-10)37(46)18-26(50-35(45)39-37)21(4)32-36(28,6)52-32/h12-16,19,21-22,26-28,31-32,46H,17-18H2,1-11H3,(H,39,45)/b14-12+,20-13+/t21-,22+,26+,27-,28+,31?,32+,36-,37+/m1/s1 |
| InChiKey: | InChIKey=GNTFDQQBHGBGMN-XRSSEKHWSA-N |
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