1,4-bis[(2,3,4-trimethoxyphenyl)methyl]piperazine

• ChemBase编号: 169901
• 分子式: C24H34N2O6
• 平均质量: 446.53656
• 单一同位素质量: 446.24168682
• SMILES: c1(c(ccc(c1OC)CN1CCN(CC1)Cc1c(c(c(cc1)OC)OC)OC)OC)OC
• Canonical SMILES: COc1c(ccc(c1OC)OC)CN1CCN(CC1)Cc1ccc(c(c1OC)OC)OC
• InChI: InChI=1S/C24H34N2O6/c1-27-19-9-7-17(21(29-3)23(19)31-5)15-25-11-13-26(14-12-25)16-18-8-10-20(28-2)24(32-6)22(18)30-4/h7-10H,11-16H2,1-6H3
• InChIKey: SZYPCHFFOGTJQE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,4-bis[(2,3,4-trimethoxyphenyl)methyl]piperazine
• IUPAC传统名: 1,4-bis[(2,3,4-trimethoxyphenyl)methyl]piperazine
• 别名: 1,4-Bis[(2,3,4-trimethoxyphenyl)methyl]piperazine; 1,4-Bis(2,3,4-trimethoxybenzyl)piperazine; Hexametazidine

登记号

• CAS号: 1257-19-8
• PubChem SID: 162264033
• PubChem CID: 2873831

理论计算性质

• 质子受体: 8
• 质子供体: 0
• LogD (pH = 5.5): 0.92921627
• LogD (pH = 7.4): 2.3619003
• Log P: 2.5402076
• 摩尔折射率: 124.0426 cm^3
• 极化性: 48.40826 Å^3
• 极化表面积: 61.86 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - H291150

Hexametazidine is an impurity of Trimetazidine (T795610). Trimetazidine impurity B. Hexametazidine can protect the myocardium from injury by ischemia and reperfusion.