(2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide hydrochloride

• ChemBase编号: 172675
• 分子式: C15H23ClN2O
• 平均质量: 282.80892
• 单一同位素质量: 282.14989105
• SMILES: C1CCN([C@@H](C1)C(=O)Nc1c(cccc1C)C)C.Cl
• Canonical SMILES: CN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C.Cl
• InChI: InChI=1S/C15H22N2O.ClH/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3;/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18);1H/t13-;/m0./s1
• InChIKey: RETIMRUQNCDCQB-ZOWNYOTGSA-N

名称和登记号

名称

• IUPAC标准名: (2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide hydrochloride
• IUPAC传统名: (2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide hydrochloride
• 别名: (2S)-N-(2,6-Dimethylphenyl)-1-methyl-2-piperidinecarboxamide Hydrochloride; (+)-Mepivacaine Hydrochloride; (+)-1-Methyl-2',6'-pipecoloxylidide, MonoHydrochloride; (S)-N-(2,6-Dimethylphenyl)-1-methyl-2-piperidinecarboxamide Hydrochloride; (S)-(+)-Mepivacaine Hydrochloride

登记号

• CAS号: 34333-71-6
• PubChem SID: 164228585
• PubChem CID: 66586222

理论计算性质

• Acid pKa: 13.623901
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 1.4378594
• LogD (pH = 7.4): 2.9576306
• Log P: 3.1916199
• 摩尔折射率: 76.3197 cm^3
• 极化性: 28.751305 Å^3
• 极化表面积: 32.34 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - M225075

An optical isomer of the local anesthetic Mepivacaine (M225060) that is slightly less active than its (-)-isomer.

参考文献

• Luduena, F.P. et al.: Arch. Int. Pharmacodyn. Ther., 200, 359 (1972)
• Jeske, A.H. et al.: Meth. Find. Exp. Clin. Pharmacol., 3, 33 (1972)