N-benzyl-3-chloropropanamide

• ChemBase编号: 130296
• 分子式: C10H12ClNO
• 平均质量: 197.66138
• 单一同位素质量: 197.06074169
• SMILES: ClCCC(=O)NCc1ccccc1
• Canonical SMILES: ClCCC(=O)NCc1ccccc1
• InChI: InChI=1S/C10H12ClNO/c11-7-6-10(13)12-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)
• InChIKey: JPYQFYIEOUVJDU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-benzyl-3-chloropropanamide
• IUPAC传统名: N-benzyl-3-chloropropionamide
• 别名: 3-Chloro-N-(phenylmethyl-propanamide; Beklamid; Chloracon; Chlorakon; Chloroethylphenamide; Hibicon; N-(3-Chloropropionyl)benzylamine; N-Benzyl-3-chloropropionamide; N-Benzyl-β-chloropropanamide; N-Benzyl-β-chloropropionamide; NSC 67062; Neuracen; Nidrane; Nydran; Nydrane; Posedrine; Seclar; Beclamide

登记号

• CAS号: 501-68-8
• PubChem SID: 162224575
• PubChem CID: 10391
• ATC码: N03AX30
• CHEMBL: 64195
• Chemspider ID: 9962
• KEGG ID: D07300
• 美国药典/FDA物质标识码: F5N0ALI65V
• 维基百科标题: Beclamide

理论计算性质

• Acid pKa: 14.127145
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 1.6922174
• LogD (pH = 7.4): 1.6922174
• Log P: 1.6922174
• 摩尔折射率: 53.4278 cm^3
• 极化性: 20.719278 Å^3
• 极化表面积: 29.1 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

药理学性质

• 给药途径: Oral

详细说明

Toronto Research Chemicals - B119400

Beclamide is a chlorinated benzylpropanamide used as an anticonvulsant drug. It is used in the treatment of tonic-clonic seizyres and has sedative properties.

参考文献

• Morton, D.J.: Neuropharmacology, 23, 1125 (1984)
• Rydzynski, Z. et al.: Therapie, 32, 365 (1984)
• Luscombe, D.K. et al.: J. Pharm. Pharmacol., 27, 18P (1984)