basic_info |
|
| Product_Name： | CP-101606-27 |
| CAS： | 189894-57-3 |
| EnglishSynonyms： | CP-101606-27 |
| pro_mdlNumber： | MFCD22377951 |
| pro_acceptors： | 4 |
| pro_donors： | 3 |
| pro_smile： | C[C@@H]([C@H](c1ccc(cc1)O)O)N2CCC(CC2)(c3ccccc3)O.CS(=O)(=O)O.O.O.O |
| InChi： | InChI=1S/C20H25NO3.CH4O3S.3H2O/c1-15(19(23)16-7-9-18(22)10-8-16)21-13-11-20(24,12-14-21)17-5-3-2-4-6-17;1-5(2,3)4;;;/h2-10,15,19,22-24H,11-14H2,1H3;1H3,(H,2,3,4);3*1H2/t15-,19+;;;;/m0..../s1 |
| InChiKey： | InChIKey=LUILKELNVBKKTG-ZOZJKLBQSA-N |
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