129724-56-7 (6-异喹啉,1,2,3,4-四氢-7-甲氧基-1-[2-(4-甲氧基苯基)乙基]-2-甲基-(1S)-,6-Isoquinolinol,1,2,3,4-tetrahydro-7-methoxy-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-, (1S)-)

CAS号:
129724-56-7
中文名称:
6-异喹啉,1,2,3,4-四氢-7-甲氧基-1-[2-(4-甲氧基苯基)乙基]-2-甲基-(1S)-
英文名称:
6-Isoquinolinol,1,2,3,4-tetrahydro-7-methoxy-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-, (1S)-
分子式:
C20H25NO3
分子量:
327.417405843735

6-异喹啉,1,2,3,4-四氢-7-甲氧基-1-[2-(4-甲氧基苯基)乙基]-2-甲基-(1S)-(129724-56-7)名称与标识符

名称

英文别名:
6-Isoquinolinol,1,2,3,4-tetrahydro-7-methoxy-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-, (1S)-;(+)-Colchiethine;6-Isoquinolinol,1,2,3,4-tetrahydro-7-methoxy-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-, (S)-;Colchiethine;6-Isoquinolinol, 1,2,3,4-tetrahydro-7-methoxy-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-, (1S)-;

标识符

InChIKey:
IIZILRNADRBANM-SFHVURJKSA-N
Inchi:
1S/C20H25NO3/c1-21-11-10-15-12-19(22)20(24-3)13-17(15)18(21)9-6-14-4-7-16(23-2)8-5-14/h4-5,7-8,12-13,18,22H,6,9-11H2,1-3H3/t18-/m0/s1
SMILES:
[C@H]1(CCC2=CC=C(OC)C=C2)C2=C(C=C(O)C(OC)=C2)CCN1C

6-异喹啉,1,2,3,4-四氢-7-甲氧基-1-[2-(4-甲氧基苯基)乙基]-2-甲基-(1S)-(129724-56-7)物化性质

实验特性

  • PSA : 41.93
  • 沸点 : 474.5±45.0 °C(Predicted)
  • 酸度系数(pKa) : 9.96±0.40(Predicted)
  • 密度 : 1.121±0.06 g/cm3(Predicted)

计算特性

  • 精确分子量 : 327.18355
  • 氢键供体数量 : 1
  • 氢键受体数量 : 4
  • 重原子数量 : 24
  • 疏水参数计算参考值(XlogP) : 1.743