methyl[(1S)-3-(naphthalen-1-yloxy)-1-phenylpropyl]amine

• ChemBase编号: 165753
• 分子式: C20H21NO
• 平均质量: 291.38684
• 单一同位素质量: 291.1623143
• SMILES: c1ccc2c(c1)c(ccc2)OCC[C@@H](c1ccccc1)NC
• Canonical SMILES: CN[C@H](c1ccccc1)CCOc1cccc2c1cccc2
• InChI: InChI=1S/C20H21NO/c1-21-19(17-9-3-2-4-10-17)14-15-22-20-13-7-11-16-8-5-6-12-18(16)20/h2-13,19,21H,14-15H2,1H3/t19-/m0/s1
• InChIKey: SCPPXXMPTQHFGC-IBGZPJMESA-N

名称和登记号

名称

• IUPAC标准名: methyl[(1S)-3-(naphthalen-1-yloxy)-1-phenylpropyl]amine
• IUPAC传统名: methyl[(1S)-3-(naphthalen-1-yloxy)-1-phenylpropyl]amine
• 别名: (αS)-N-Methyl-α-[2-(1-naphthalenyloxy)ethyl]benzenemethanamine; (S)-N-Demethyl Dapoxetine; (αR)-N-Methyl-α-[2-(1-naphthalenyloxy)ethyl]benzenemethanamine; (R)-N-Demethyl Dapoxetine

登记号

• CAS号: 147199-39-1; 1202160-36-8
• PubChem SID: 162259886
• PubChem CID: 45101754

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 1.1089605
• LogD (pH = 7.4): 2.1880126
• Log P: 4.2848477
• 摩尔折射率: 90.844 cm^3
• 极化性: 37.164005 Å^3
• 极化表面积: 21.26 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - D230910

The (R)-metabolite of Dapoxetine (D185700). Selective serotonin reuptake inhibitor antidepressant.

Toronto Research Chemicals - D230915

The (S)-metabolite of Dapoxetine (D185700). Selective serotonin reuptake inhibitor antidepressant.

参考文献

• Wong, D., et al.: Life Sci., 57, 411 (1995)
• Sorbera, L., et al.: Drugs Future, 29, 1201 (1995)
• Cipriani, A., et al.: Lancet, 373, 746 (1995)
• Katzman, M., et al.: CNS Drug, 23, 103 (1995)
• Wong, D., et al.: Life Sci., 57, 411 (1995)
• Sorbera, L., et al.: Drugs Future, 29, 1201 (1995)
• Cipriani, A., et al.: Lancet, 373, 746 (1995)
• Katzman, M., et al.: CNS Drug, 23, 103 (1995)