(9S)- CINCHONAN-6',9-DIOL
| 中文名称 | (9S)- CINCHONAN-6',9-DIOL |
|---|---|
| 中文同义词 | (9S)-奎宁-6',9-二醇;O-去甲基奎尼丁;4-((S)-羟基((1S,2R,4S,5R)-5-乙烯基奎宁环-2-基)甲基)喹啉-6-醇 |
| 英文名称 | O-Desmethyl Quinidine |
| 英文同义词 | (9S)-9-Diol Cinchonan-6 6Hydroxycinchonine;O-Demethylquinidin;O-Desmethyl Quinidine;(9S)-9-Diol Cinchonan-6’;6’-Hydroxycinchonine;(1β,4β)-3α-Vinyl-6α-[(S)-hydroxy(6-hydroxy-4-quinolyl)methyl]-1-azabicyclo[2.2.2]octane;(9S)-6',9-Dihydroxycinchonan;(9S)-Cinchonan-6',9-diol |
| CAS号 | 70877-75-7 |
| 分子式 | C19H22N2O2 |
| 分子量 | 310.39 |
| EINECS号 | |
| 相关类别 | 医药原料;Intermediates & Fine Chemicals;Metabolites & Impurities;Pharmaceuticals |
| Mol文件 | 70877-75-7.mol |
| 结构式 |  |
(9S)- CINCHONAN-6',9-DIOL 性质
| 熔点 | 186-190 °C |
|---|---|
| 沸点 | 514.6±45.0 °C(Predicted) |
| 密度 | 1.28±0.1 g/cm3(Predicted) |
| 储存条件 | Sealed in dry,2-8°C |
| 溶解度 | DMSO（微溶）、乙醇（微溶）、甲醇（微溶） |
| 形态 | 固体 |
| 酸度系数(pKa) | 8.82±0.40(Predicted) |
| 颜色 | 淡黄色至浅黄色 |
| 旋光度 (Optical Rotation) | 253.108° (C=0.01 g/ml, ETOH) |
| InChI | InChI=1S/C19H22N2O2/c1-2-12-11-21-8-6-13(12)9-18(21)19(23)15-5-7-20-17-4-3-14(22)10-16(15)17/h2-5,7,10,12-13,18-19,22-23H,1,6,8-9,11H2/t12-,13-,18+,19-/m0/s1 |
| InChIKey | VJFMSYZSFUWQPZ-WXPXUSHHSA-N |
| SMILES | [C@@H](O)([C@@H]1[N@]2CC[C@H]([C@H](C2)C=C)C1)C1=CC=NC2=CC=C(O)C=C12 |
O-Desmethyl quinidine (Cupreidine) 是奎宁 (Quinine (HY-D0143))的口服活性代谢物。O-Desmethyl quinidine 可降低脊髓损伤大鼠的痉挛频率，并显示出低血液毒性。