basic_info |
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| Product_Name: | RALOXIFENE-6'-GLUCURONIDE LITHIUM SALT |
| CAS: | 174264-50-7 |
| EnglishSynonyms: | RALOXIFENE-6-GLUCURONIDE LITHIUM SALT ; RALOXIFENE-6'-GLUCURONIDE LITHIUM SALT ; RALOXIFENE-6-D-GLUCURONIDE LITHIUM SALT |
| pro_mdlNumber: | MFCD15071333 |
| pro_acceptors: | 11 |
| pro_donors: | 4 |
| pro_smile: | [Li+].c1cc(ccc1c2c(c3ccc(cc3s2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O)C(=O)c5ccc(cc5)OCCN6CCCCC6)O |
| InChi: | InChI=1S/C34H35NO10S.Li/c36-21-8-4-20(5-9-21)32-26(27(37)19-6-10-22(11-7-19)43-17-16-35-14-2-1-3-15-35)24-13-12-23(18-25(24)46-32)44-34-30(40)28(38)29(39)31(45-34)33(41)42;/h4-13,18,28-31,34,36,38-40H,1-3,14-17H2,(H,41,42);/q;+1/p-1/t28-,29-,30+,31-,34+;/m0./s1 |
| InChiKey: | InChIKey=XHAYXJLZLPLXKI-REJGPQDISA-M |
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