N-(2,6-dimethylphenyl)-1-(2H3)methylpiperidine-2-carboxamide

• ChemBase编号: 172671
• 分子式: C15H22N2O
• 平均质量: 246.34798
• 单一同位素质量: 246.17321333
• SMILES: C1CCN(C(C1)C(=O)Nc1c(cccc1C)C)C
• Canonical SMILES: CN1CCCCC1C(=O)Nc1c(C)cccc1C
• InChI: InChI=1S/C15H22N2O/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)
• InChIKey: INWLQCZOYSRPNW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2,6-dimethylphenyl)-1-(^2H₃)methylpiperidine-2-carboxamide
• IUPAC传统名: N-(2,6-dimethylphenyl)-1-(^2H₃)methylpiperidine-2-carboxamide
• 别名: N-(2,6-Dimethylphenyl)-1-methyl-2-piperidinecarboxamide-d3; (±)-Mepivacaine-d3; 1-Methyl-2',6'-pipecoloxylidide-d3; APF 135-d3; Carbocain-d3; Carbocaine-d3; Carbocaine-V-d3; DL-Mepivacaine-d3; MepiSV-d3; Mepicaine-d3; Scandicain-d3; Scandicaine-d3; Tevacaine-d3; Mepivacaine-d3

登记号

• PubChem SID: 164228581
• PubChem CID: 71749963

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

分子性质

理化性质

• 溶解度: Chloroform; Methanol
• 外观: White Solid
• 熔点: 148-151°C

安全信息

• 保存条件: Refrigerator

详细说明

Toronto Research Chemicals - M225057

An anti-inflammatory and analgesic agent. Anesthetic (local).

参考文献

• Reynolds, et al.: Br. J. Anaesth., 43, 33 (1971)
• Tullar, et al.: J. Med. Chem., 14, 891 (1971)
• Aberg, G., et al.: Acta Pharmacol. Toxicol., 31, 273 (1971)