(2S)-N-benzyl-2-acetamido-3-methoxypropanamide

• ChemBase编号: 172155
• 分子式: C13H18N2O3
• 平均质量: 250.29362
• 单一同位素质量: 250.13174245
• SMILES: c1(CNC(=O)[C@H](COC)NC(=O)C)ccccc1
• Canonical SMILES: COC[C@@H](C(=O)NCc1ccccc1)NC(=O)C
• InChI: InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m0/s1
• InChIKey: VPPJLAIAVCUEMN-LBPRGKRZSA-N

名称和登记号

名称

• IUPAC标准名: (2S)-N-benzyl-2-acetamido-3-methoxypropanamide
• IUPAC传统名: (2S)-N-benzyl-2-acetamido-3-methoxypropanamide
• 别名: (2R)-2-(Acetylamino)-3-methoxy-N-(phenylmethyl)propanamide; (2R)-2-Acetamido-N-benzyl-3-methoxypropanamide; ADD 243037; Erlosamide; Harkoseride; Lacosamide; SPM 927; Vimpat; Lacosamide

登记号

• CAS号: 175481-36-4
• PubChem SID: 164228065
• PubChem CID: 10634426

理论计算性质

• Acid pKa: 12.468967
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -0.022441689
• LogD (pH = 7.4): -0.022444889
• Log P: -0.022441605
• 摩尔折射率: 67.5675 cm^3
• 极化性: 26.340395 Å^3
• 极化表面积: 67.43 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chlorform; Methanol
• 外观: White to Off-White Solid
• 熔点: 141-143°C

安全信息

• 保存条件: Refrigerator

详细说明

Toronto Research Chemicals - L098500

Lacosamide is a medication used for the adjunctive treatment of partial-onset seizures and diabetic neuropathic pain. Lacosamide is a potent anticonvulsant.

参考文献

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• Kuo, C., et al.: Mol. Pharmacol., 51, 1077 (1993)
• Barton, M., et al.: Epilepsy Res., 47, 217 (1993)
• Beyreuther, B., et al.: Eur. J. Pharmacol., 539, 64 (1993)
• Beyreuther, B., et al.: CNS Drug Rev., 13, 21