21650-42-0 ((1-[(3,4,5-Trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol)

CAS号:
21650-42-0
英文名称:
1-[(3,4,5-Trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
分子式:
C19H23NO5
分子量:
345.389625787735

1-[(3,4,5-Trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol(21650-42-0)名称与标识符

名称

英文别名:
6,7-Isoquinolinediol,1,2,3,4-tetrahydro-1-[(3,4,5-trimethoxyphenyl)methyl]-;(?à)-6,7-Dihydroxy-1-(3',4',5'-trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinoline;(?à)-Trimetoquinol;1-(3,4,5-Trimethoxybenzyl)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline;1-(3,4,5-Trimethoxybenzyl)-6,7-dihydroxyl-1,2,3,4-tetrahydroisoquinoline;6,7-Isoquinolinediol,1,2,3,4-tetrahydro-1-(3,4,5-trimethoxybenzyl)-, (?à)- (8CI);6,7-Isoquinolinediol,1,2,3,4-tetrahydro-1-[(3,4,5-trimethoxyphenyl)methyl]-, (?à)-;(+/-)-tretoquinol;DL-Trimetoquinol;Trimetoquinol HCl;TMQ, Racemic;Tretoquinol [MI];Racemic-trimetoquinol;(+/-)-Trimetoquinol;Tretoquinol, (+/-)-;R(+)-TMQ;RGVPOXRFEPSFGH-UHFFFAOYSA-N;PDSP1_000588;BDBM50019355;PDSP2_000585;1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol;Q27291413;1-(3,4,5-Trimethoxybenzyl)-1,2,3,4-tetrahydro-6,7-isoquin;

标识符

InChIKey:
RGVPOXRFEPSFGH-UHFFFAOYSA-N
Inchi:
1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3
SMILES:
OC1C(=CC2CCNC(CC3C=C(C(=C(C=3)OC)OC)OC)C=2C=1)O

1-[(3,4,5-Trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol(21650-42-0)物化性质

计算特性

  • 氢键供体数量 : 3
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 5
  • 重原子数量 : 25
  • 复杂度 : 409
  • 拓扑分子极性表面积 : 80.2