1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride

• ChemBase编号: 104608
• 分子式: C10H14ClNO2
• 平均质量: 215.67666
• 单一同位素质量: 215.07130637
• SMILES: Cl.CC1NCCc2cc(O)c(O)cc12
• Canonical SMILES: CC1NCCc2c1cc(O)c(c2)O.Cl
• InChI: InChI=1S/C10H13NO2.ClH/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6;/h4-6,11-13H,2-3H2,1H3;1H
• InChIKey: WSVCGYSRZYNJMC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride
• IUPAC传统名: (+)-salsolinol hydrochloride
• 别名: 1-甲基-6,7-二羟基-1,2,3,4-四氢异喹啉; (±)-猪毛菜酚 盐酸盐; (±)-Salsolinol hydrochloride; 1-Methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline; (±)-SALSOLINOL; 1-Methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline Hydrochloride; 1,2,3,4-Tetrahydro-1-methyl-6,7-isoquinolinediol Hydrochloride; rac Salsolinol Hydrochloride

登记号

• CAS号: 70681-20-8
• MDL号: MFCD00068718
• PubChem SID: 162091904; 24899469
• PubChem CID: 12313588

理论计算性质

• Acid pKa: 9.611088
• 质子受体: 3
• 质子供体: 3
• LogD (pH = 5.5): -1.6246938
• LogD (pH = 7.4): -0.115078285
• Log P: 0.9552438
• 摩尔折射率: 50.9962 cm^3
• 极化性: 19.616442 Å^3
• 极化表面积: 52.49 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Ethanol; Methanol; Water
• 外观: Off-White to Pale Yellow Solid; yellow powder
• 熔点: 223-224°C

安全信息

• 保存条件: -20°C Freezer
• 保存注意事项: Store in freezer at -20°C
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥80% (TLC)
• 级别: analytical standard, for drug analysis

详细说明

MP Biomedicals - 02156580

(1-Methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline)
Hydrochloride

Toronto Research Chemicals - S100000

Salsolinol is derived from the neurotransmitter dopamine and acetaldehyde. Interest in this molecule comes from studies suggesting that it might be involved in alcohol addiction, as acetaldehyde is both a well recognized substrate for the Pictet-Spengler

参考文献

• Myers, R.D. and Melchior, C.L., Pharm. Biochem. and Behavior, 7: 381, (1977).
• Weiner, C.D., et al.: Biochem. Pharmacol., 27, 2699 (1978)
• O'Dell, D.K., et al.: Bioorg. Med. Chem., 15, 6164 (1978)