1-(1-phenylpentan-2-yl)(2H8)pyrrolidine

• ChemBase编号: 176972
• 分子式: C15H23N
• 平均质量: 217.34982
• 单一同位素质量: 217.18304974
• SMILES: c1cccc(c1)CC(CCC)N1CCCC1
• Canonical SMILES: CCCC(N1CCCC1)Cc1ccccc1
• InChI: InChI=1S/C15H23N/c1-2-8-15(16-11-6-7-12-16)13-14-9-4-3-5-10-14/h3-5,9-10,15H,2,6-8,11-13H2,1H3
• InChIKey: OJCPSBCUMRIPFL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(1-phenylpentan-2-yl)(^2H₈)pyrrolidine
• IUPAC传统名: 1-(1-phenylpentan-2-yl)(^2H₈)pyrrolidine
• 别名: 1-[1-(Phenylmethyl)butyl]pyrrolidine; 1-(1-Benzylbutyl)pyrrolidine-d8; 1-(α-Propylphenethyl)pyrrolidine-d8; 1-Phenyl-2-pyrrolidinylpentane-d8; Phenylpyrrolidinopentane-d8; Prolintan-d8; Prolintane-d8

登记号

• PubChem SID: 164232882
• PubChem CID: 71751802

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 0.5062922
• LogD (pH = 7.4): 1.068127
• Log P: 3.9927673
• 摩尔折射率: 70.4405 cm^3
• 极化性: 27.700438 Å^3
• 极化表面积: 3.24 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - P756102

Labelled Prolintane. Prolintane is a CNS stiumlant used as an analeptic drug. Prolintane acts as a norepinephrine-dopamine reuptake inhibitor.

参考文献

• Hucker, H.B. et al.: Experientia, 28, 430 (1972)
• Hollister, L.E. et al.: J. Clin. Pharmacol. J. New Drugs, 10, 103 (1972)
• Kuitunen, T. et al.: Meth. Find. Exp. Clin. Pharmacol., 6, 265 (1984):