(9S)-奎宁-6',9-二醇 | 70877-75-7
(9S)-奎宁-6',9-二醇
O-Desmethyl Quinidine
70877-75-7
C19H22N2O2
310.3902
名称和标识符
MDL |
MFCD01736592 |
InChIKey |
VJFMSYZSFUWQPZ-WXPXUSHHSA-N |
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 |
SMILES |
O([H])[C@@]([H])(C1C([H])=C([H])N=C2C([H])=C([H])C(=C([H])C=12)O[H])[C@@]1([H])C([H])([H])[C@]2([H])C([H])([H])C([H])([H])N1C([H])([H])[C@]2([H])C([H])=C([H])[H] |
别名信息
- 英文别名 -
- Cinchonan-6',9-diol,(9S)-
- O-Desmethyl Quinidine
- (9S)- CINCHONAN-6'',9-DIOL
- (9S)- CINCHONAN-6,9-DIOL
- (9S)-6',9-Dihydroxycinchonan
- (9S)-9-Diol Cinchonan-6 6Hydroxycinchonine
- (9S)-Cinchonan-6',9-diol
- 6'-demethylquinine
- 6'-Hydroxychinchonine
- 6-hydroxycinchonidine
- Cupreidine
- demethylquinine
- O-Demethylquinidin
- CINCHONAN-6',9-DIOL, (9S)-
- 4-((S)-Hydroxy((1S,2R,4S,5R)-5-vinylquinuclidin-2-yl)methyl)quinolin-6-ol
- O-Desmethylquinidine
- 4-[(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]quinolin-6-ol
- Demethylquinidine
- O-Demethylquinidine
- 6'-Hydroxycinchonine
- A914159
- 4-((S)-hydroxy((2R,4S,5R)-5-vinylquinuclidin-2-yl)methyl)quinolin-6-ol
- 4-[(s)-((2r,4s,5r)-5-ethenyl-1-azabicyclo[2.2.2]-oct-2-
物化性质
实验特性
LogP |
2.80810 |
PSA |
56.59000 |
沸点 |
514.6℃/760mmHg |
计算特性
精确分子量 |
310.16800 |
氢键供体数量 |
2 |
氢键受体数量 |
4 |
可旋转化学键数量 |
3 |
重原子数量 |
23 |
复杂度 |
443 |
疏水参数计算参考值(XlogP) |
2.6 |
拓扑分子极性表面积 |
56.6 |
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