6H-Benzofuro[3a,3,2-ef][2]benzazepinium,4a,5,9,10,11,12-hexahydro-6-hydroxy-3-methoxy-11,11-dimethyl-, hydroxide (1:1),(4aS,6R,8aS)- | 14844-83-8
6H-Benzofuro[3a,3,2-ef][2]benzazepinium,4a,5,9,10,11,12-hexahydro-6-hydroxy-3-methoxy-11,11-dimethyl-, hydroxide (1:1),(4aS,6R,8aS)-
14844-83-8
C18H24NO3+.HO-
319.3954
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:6H-Benzofuro[3a,3,2-ef][2]benzazepinium,4a,5,9,10,11,12-hexahydro-6-hydroxy-3-methoxy-11,11-dimethyl-, hydroxide (1:1),(4aS,6R,8aS)-结构式
名称和标识符
InChIKey |
QWVBXTXYQAXKPX-UHFFFAOYSA-M |
Inchi |
InChI=1S/C18H24NO3.H2O/c1-19(2)9-8-18-7-6-13(20)10-15(18)22-17-14(21-3)5-4-12(11-19)16(17)18;/h4-7,13,15,20H,8-11H2,1-3H3;1H2/q+1;/p-1 |
SMILES |
[OH-].COC1C=CC2=C3C4(C=CC(O)CC4OC=13)CC[N+](C2)(C)C |
别名信息
- 英文别名 -
- 6H-Benzofuro[3a,3,2-ef][2]benzazepinium,4a,5,9,10,11,12-hexahydro-6-hydroxy-3-methoxy-11,11-dimethyl-, hydroxide (1:1),(4aS,6R,8aS)-
- 6H-Benzofuro[3a,3,2-ef][2]benzazepinium,4a,5,9,10,11,12-hexahydro-6-hydroxy-3-methoxy-11,11-dimethyl-, hydroxide (1:1),(4aS,6
- 10-Methylgalanthaminium hydroxide
- Galanthamine hydroxymethylate
- Galanthamine methohydroxide
- N-Methylgalanthaminium hydroxide
- Galanthamine methoxide
- 6-Hydroxy-3-methoxy-11,11-dimethyl-5,6,9,10,11,12-hexahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11-ium hydroxide
- 14844-83-8
- Galanthaminium, 7-methyl-, hydroxide
- Galanthaminium, 10-methyl-, hydroxide
- DTXSID40933409
- 7-Methylgalanthaminium hydroxide
物化性质
实验特性
计算特性
精确分子量 |
319.17845 |
氢键供体数量 |
2 |
氢键受体数量 |
4 |
可旋转化学键数量 |
1 |
同位素质量 |
319.17835828g/mol |
重原子数量 |
23 |
复杂度 |
477 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
2 |
不确定原子立构中心数量 |
1 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
2 |
拓扑分子极性表面积 |
39.7Ų |