basic_info |
|
| Product_Name: | NALTREXONE-3-GLUCURONIDE |
| CAS: | 76630-71-2 |
| EnglishSynonyms: | NALTREXONE-3-GLUCURONIDE ; NALTREXONE 3-O-BETA-D-GLUCURONIDE |
| pro_mdlNumber: | MFCD00878773 |
| pro_acceptors: | 11 |
| pro_donors: | 5 |
| pro_smile: | c1cc(c2c3c1C[C@@H]4[C@]5([C@]3(CCN4CC6CC6)[C@@H](O2)C(=O)CC5)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O |
| InChi: | InChI=1S/C26H31NO10/c28-13-5-6-26(34)15-9-12-3-4-14(35-24-19(31)17(29)18(30)21(37-24)23(32)33)20-16(12)25(26,22(13)36-20)7-8-27(15)10-11-1-2-11/h3-4,11,15,17-19,21-22,24,29-31,34H,1-2,5-10H2,(H,32,33)/t15-,17+,18+,19-,21+,22+,24-,25+,26-/m1/s1 |
| InChiKey: | InChIKey=KCSKQJYZSCIQRR-ODTDCTFRSA-N |
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