trimethyl[2-({4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl}oxy)ethyl]azanium dichloride

• ChemBase编号: 177949
• 分子式: C14H30Cl2N2O4
• 平均质量: 361.305
• 单一同位素质量: 360.15826281
• SMILES: C(COC(=O)CCC(=O)OCC[N+](C)(C)C)[N+](C)(C)C.[Cl-].[Cl-]
• Canonical SMILES: O=C(OCC[N+](C)(C)C)CCC(=O)OCC[N+](C)(C)C.[Cl-].[Cl-]
• InChI: InChI=1S/C14H30N2O4.2ClH/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6;;/h7-12H2,1-6H3;2*1H/q+2;;/p-2
• InChIKey: YOEWQQVKRJEPAE-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: trimethyl[2-({4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl}oxy)ethyl]azanium dichloride
• IUPAC传统名: succinylcholine dichloride
• 别名: 2,2'-[(1,4-Dioxo-1,4-butanediyl)bis(oxy)]bis[N,N,N-trimethylethanaminium Chloride; 2-Dimethylaminoethyl Succinate Dimethochloride; Anectine; Diacetylcholine Dichloride; Lysthenon; Midarine; Scoline; Succinylcholine Chloride

登记号

• CAS号: 71-27-2
• PubChem SID: 164233859
• PubChem CID: 22475

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): -8.394079
• LogD (pH = 7.4): -8.394079
• Log P: -8.394079
• 摩尔折射率: 100.9406 cm^3
• 极化性: 31.004166 Å^3
• 极化表面积: 52.6 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Methanol; Water
• 外观: White Solid
• 熔点: 203-205°C

安全信息

• 保存条件: Refrigerator, under inert atmosphere
• 保存注意事项: Hygroscopic

详细说明

Toronto Research Chemicals - S692100

A neuromuscular blocking agent. Muscle relaxant (skeletal).

参考文献

• Jensen, B., et al.: Acta Chem. Scand., 30, 1002 (1976)
• Anttila, P., et al.: Med. Biol., 56, 152 (1976)
• Foss, P.R.B., et al.: Anal. Profiles Drug Subs., 10, 691 (1976)