7-({tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-2-yl}amino)heptanoic acid

• ChemBase编号: 130418
• 分子式: C22H27NO2
• 平均质量: 337.45528
• 单一同位素质量: 337.20417911
• SMILES: O=C(O)CCCCCCNC1c2ccccc2CCc2c1cccc2
• Canonical SMILES: OC(=O)CCCCCCNC1c2ccccc2CCc2c1cccc2
• InChI: InChI=1S/C22H27NO2/c24-21(25)13-3-1-2-8-16-23-22-19-11-6-4-9-17(19)14-15-18-10-5-7-12-20(18)22/h4-7,9-12,22-23H,1-3,8,13-16H2,(H,24,25)
• InChIKey: ONNOFKFOZAJDHT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-({tricyclo[9.4.0.0^3,^8]pentadeca-1(11),3,5,7,12,14-hexaen-2-yl}amino)heptanoic acid; 7-({tricyclo[9.4.0.0^3,^8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl}amino)heptanoic acid
• IUPAC传统名: amineptine
• 别名: Amineptine; 7-[(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)amino]heptanoic Acid; Survector

登记号

• CAS号: 57574-09-1
• PubChem SID: 162224697
• PubChem CID: 34870
• CHEBI ID: 32499
• ATC码: N06AA19
• CHEMBL: 418995
• Chemspider ID: 32091
• DrugBank ID: DB04836
• KEGG ID: D07335
• 美国药典/FDA物质标识码: 27T1I13L6G
• 维基百科标题: Amineptine

理论计算性质

• Acid pKa: 4.41307
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 2.717727
• LogD (pH = 7.4): 2.742191
• Log P: 2.7436762
• 摩尔折射率: 101.211 cm^3
• 极化性: 39.503975 Å^3
• 极化表面积: 49.33 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

药理学性质

• 给药途径: Oral
• 排泄: Renal
• 半衰期: 48 mins (original drug); 2.5 hours (metabolites)
• 代谢: Hepatic
• 法定药品分级: United Nations: Schedule II; Canada: Schedule III; USA: Unscheduled; UK: Schedule 2; Germany: Anlage II (not prescribable)

详细说明

Toronto Research Chemicals - A634280

Amineptine is used as an atypical tricyclic antidepressant. Amineptine selectively inhibits the reuptake of dopamine and to a lesser extent norepinephrine.

参考文献

• Vaugeois J.M. et al.: Pharmacol. Biochem. Behav., 63, 285 (1999)
• Chanelet, J. et al.: Pharmatherapeutica, 1, 593 (1999)
• Hall, H. et al.: Acta Pharmacol. Toxicol., 54, 379 (1999)