O-甲基蝙蝠葛碱 | 2202-17-7
中文名称:
O-甲基蝙蝠葛碱
英文名称:
(-)-O-Methyldauricine
CAS No.:
2202-17-7
分子式:
C3 9 H4 6 N2 O6
分子量:
638.79234
名称和标识符
InChIKey
UHYCXSGUNAWVBW-CZNDPXEESA-N
Inchi
InChI=1S/C39H46N2O6/c1-40-16-14-27-21-35(43-4)37(45-6)23-30(27)32(40)18-25-8-11-29(12-9-25)47-39-20-26(10-13-34(39)42-3)19-33-31-24-38(46-7)36(44-5)22-28(31)15-17-41(33)2/h8-13,20-24,32-33H,14-19H2,1-7H3/t32-,33-/m1/s1
SMILES
COC1C=CC(C[C@H]2N(C)CCC3=CC(=C(C=C23)OC)OC)=CC=1OC1C=CC(C[C@H]2N(C)CCC3=CC(=C(C=C23)OC)OC)=CC=1
别名信息
- 英文别名 -
O-Methyldauricine
(1R)-1-[[4-[5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
(1'R)-6
(1'R)-6,7,12,6'-Tetramethoxy-2,2',18'-trimethyl-8,18'-seco-berbaman
Dauricine,O-methyl-(6CI,7CI,8CI)
Isoquinoline,1,2,3,4-tetrahydro-6,7-dimethoxy-1-((4-(2-methoxy-5-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)phenyl)methyl)-2-methyl-,(R-(R*,R*))
O,O-Dimethyl-cuspidalin
O,O-Dimethylcuspidaline
O,O-Dimethyldauricinoline
O,O-Dimethyl-daurinolin
O-Methyl-dauricin
O-Methyl-dauricinine
2202-17-7
Dauricine, O-methyl- (6CI,7CI,8CI)
BDBM50292469
(-)-O-Methyldauricine
O,O-Dimethylcuspidaline
O,O-Dimethyldauricinoline
Dauricine, O-methyl-
Q-100278
CHEMBL501861
DTXSID50176486
(1R)-1-[[4-[5-[[(1R)-6, 7-dimethoxy-2-methyl-3, 4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenoxy]phenyl]methyl]-6, 7-dimethoxy-2-methyl-3, 4-dihydro-1H-isoquinoline
(1~{R})-1-[[4-[5-[[(1~{R})-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]methyl]-2-methoxy-phenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinoline
Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-((4-(2-methoxy-5-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)phenyl)methyl)-2-methyl-, (R-(R*,R*))-
物化性质
实验特性
LogP
6.94110
PSA
61.86000
折射率
1.585
沸点
717.6°Cat760mmHg
闪点
173.2°C
密度
1.156
计算特性
精确分子量
638.33600
氢键供体数量
0
氢键受体数量
8
可旋转化学键数量
11
同位素质量
638.335587
重原子数量
47
复杂度
948
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
0
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
1
疏水参数计算参考值(XlogP)
7
拓扑分子极性表面积
61.9
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