N-甲基钓樟卡品,N-Methyllindcarpine | 14028-97-8
N-甲基钓樟卡品,N-Methyllindcarpine
(6Ar)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,11-diol
14028-97-8
C19H21NO4
327.3743
名称和标识符
InChIKey |
MBKKEBKZSKSAPX-GFCCVEGCSA-N |
Inchi |
1S/C19H21NO4/c1-20-7-6-11-9-13(21)19(24-3)17-15(11)12(20)8-10-4-5-14(23-2)18(22)16(10)17/h4-5,9,12,21-22H,6-8H2,1-3H3/t12-/m1/s1 |
SMILES |
O(C([H])([H])[H])C1=C(C([H])=C2C([H])([H])C([H])([H])N(C([H])([H])[H])[C@]3([H])C([H])([H])C4C([H])=C([H])C(=C(C=4C1=C32)O[H])OC([H])([H])[H])O[H] |
别名信息
- 中文别名 -
- N-甲基钓樟卡品
- N-甲基吲哚
- N-甲基钓樟卡品,N-Methyllindcarpine
- 英文别名 -
- 4H-Dibenzo[de,g]quinoline-2,11-diol,5,6,6a,7-tetrahydro-1,10-dimethoxy-6-methyl-, (6aS)-
- N-METHYLLINDCARPINE
- (+)-2,11-Dihydroxy-1,10-dimethoxyaporphine
- (+)-N-Methyllindcarpine
- 4H-Dibenzo[de,g]quinoline-2,11-diol,5,6,6a,7-tetrahydro-1,10-dimethoxy-6-methyl-, (S)-
- 6aa-Aporphine-2,11-diol,1,10-dimethoxy- (8CI)
- [
"2",
"11-Dihydroxy-1",
"10-dimethoxyaporphine"
]
- (6Ar)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,11-diol
- SCHEMBL22680368
- (6aS)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,11-diol
- AKOS032948678
- N-Methyllindcarpine
- 6a-Aporphine-2,11-diol, 1,10-dimethoxy-
- (+)-2,11-Dihydroxy-1,10-dimethoxyaporphine
- FS-10337
- 14028-97-8
- 2
物化性质
实验特性
LogP |
2.80500 |
PSA |
62.16000 |
颜色与性状 |
Powder |
计算特性
精确分子量 |
327.14700 |
氢键供体数量 |
2 |
氢键受体数量 |
5 |
可旋转化学键数量 |
2 |
同位素质量 |
327.14705815g/mol |
重原子数量 |
24 |
复杂度 |
461 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
1 |
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) |
2.2 |
拓扑分子极性表面积 |
62.2 |
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