2-[(1E)-1-(4-methylphenyl)-3-[(2H8)pyrrolidin-1-yl]prop-1-en-1-yl]pyridine hydrochloride

• ChemBase编号: 179016
• 分子式: C19H23ClN2
• 平均质量: 314.85232
• 单一同位素质量: 314.15497643
• SMILES: c1cccc(n1)/C(=C/CN1CCCC1)/c1ccc(cc1)C.Cl
• Canonical SMILES: Cc1ccc(cc1)/C(=C\CN1CCCC1)/c1ccccn1.Cl
• InChI: InChI=1S/C19H22N2.ClH/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21;/h2-3,6-12H,4-5,13-15H2,1H3;1H/b18-11+
• InChIKey: WYUYEJNGHIOFOC-NWBUNABESA-N

名称和登记号

名称

• IUPAC标准名: 2-[(1E)-1-(4-methylphenyl)-3-[(^2H₈)pyrrolidin-1-yl]prop-1-en-1-yl]pyridine hydrochloride
• IUPAC传统名: 2-[(1E)-1-(4-methylphenyl)-3-[(^2H₈)pyrrolidin-1-yl]prop-1-en-1-yl]pyridine hydrochloride
• 别名: 2-[(1E)-1-(4-Methylphenyl)-3-(1-pyrrolidinyl-d8)-1-propen-1-yl]pyridine Hydrochloride; 295C51-d8; Actidil-d8; Actidilat-d8; Actidilon-d8; Pro-Actidil-d8; Pro-Entra-d8; Venen-d8; trans-1-(4-Methylphenyl)-1-(2-pyridyl)-3-(pyrrolidino-d8)prop-1-ene Hydrochloride; trans-2-[3-(1-Pyrrolidinyl-d8)-1-(p-tolyl)propenyl]pyridine Hydrochloride; Triprolidine-d8 Hydrochloride

登记号

• PubChem SID: 164234926
• PubChem CID: 71752736

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.0643152
• LogD (pH = 7.4): 2.7876499
• Log P: 4.0451536
• 摩尔折射率: 98.5253 cm^3
• 极化性: 34.387333 Å^3
• 极化表面积: 16.13 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - T814002

Labelled Triprolidine. Triprolidine is an antihistaminic agent with anticholinergic properties. Triprolidine is used to treat and prevent symptoms associated with allergies. Triprolidine is also used in combination with cold medicine to provide relief for

参考文献

• Bye, C. et al.: Br. J. Clin. Pharmacol., 1, 342 (1974)
• Fantozzi, R. et al.: Br. J. Pharmacol., 53, 569 (1974)