N-(2,6-dimethylphenyl)-2-[ethyl(propyl)amino]butanamide hydrochloride

• ChemBase编号: 168789
• 分子式: C17H29ClN2O
• 平均质量: 312.87796
• 单一同位素质量: 312.19684124
• SMILES: c1ccc(c(c1C)NC(=O)C(N(CCC)CC)CC)C.Cl
• Canonical SMILES: CCCN(C(C(=O)Nc1c(C)cccc1C)CC)CC.Cl
• InChI: InChI=1S/C17H28N2O.ClH/c1-6-12-19(8-3)15(7-2)17(20)18-16-13(4)10-9-11-14(16)5;/h9-11,15H,6-8,12H2,1-5H3,(H,18,20);1H
• InChIKey: LMWQQUMMGGIGJQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2,6-dimethylphenyl)-2-[ethyl(propyl)amino]butanamide hydrochloride
• IUPAC传统名: etidocaine hydrochloride
• 别名: N-(2,6-dimethylphenyl)-2-(ethylpropylamino)butanamide Hydrochloride; (±)-N-(2,6-dimethylphenyl)-2-(ethylpropylamino)butanamide Monohydrochloride; Duranest; Duranest Hydrochloride; W 19053; Etidocaine Hydrochloride

登记号

• CAS号: 36637-19-1
• PubChem SID: 162262921
• PubChem CID: 9796823

理论计算性质

• Acid pKa: 13.624083
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 1.5118179
• LogD (pH = 7.4): 3.2457027
• Log P: 4.4567223
• 摩尔折射率: 87.4715 cm^3
• 极化性: 33.17748 Å^3
• 极化表面积: 32.34 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - E932700

A local anesthetic amide used during surgical procedures and during labor in pregnancies.

参考文献

• Akerman,S.B.A.: Br. J. Anaesth., 47, 923 (1975)
• Willdeck-Lund, G. et al.: Acta Anaesth. Scand., 23, 78 (1975)
• Morgan, D. et al.: Eur. J. Clin. Pharmacol., 13, 365 (1975)