1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride

• ChemBase编号: 72992
• 分子式: C20H26ClNO4
• 平均质量: 379.87774
• 单一同位素质量: 379.155036
• SMILES: c1(c(cc2c(c1)CCNC2Cc1ccc(c(c1)OC)OC)OC)OC.Cl
• Canonical SMILES: COc1cc(ccc1OC)CC1NCCc2c1cc(OC)c(c2)OC.Cl
• InChI: InChI=1S/C20H25NO4.ClH/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;/h5-6,10-12,16,21H,7-9H2,1-4H3;1H
• InChIKey: VMPLLPIDRGXFTQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
• IUPAC传统名: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
• 别名: Tetrahydropapaverine hydrochloride; Tetrahydropapaverine hydrochloride; 1-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride

登记号

• CAS号: 6429-04-5
• MDL号: MFCD00035267
• PubChem SID: 162037912
• PubChem CID: 16667431

理论计算性质

• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): -0.11081835
• LogD (pH = 7.4): 1.1754836
• Log P: 3.0136995
• 摩尔折射率: 97.5062 cm^3
• 极化性: 37.99663 Å^3
• 极化表面积: 48.95 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

安全信息

• 保存条件: -20°C
• 保存注意事项: Toxic

产品相关信息

• 纯度: 95+%
• 成盐信息: hydrochloride

详细说明

Selleck Chemicals - S2367

Research Area: Neurological Disease
Biological Activity:
Tetrahydropapaverine, one of the TIQs and an analogue of salsolinol and tetrahydropapaveroline, has been reported to have neurotoxic effects on dopamine neurons. [1]

参考文献

• Kim EI, Kang MH, Lee MK. Life Sci. 2004 Sep 3;75(16):1949-57