N-phenyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide hydrochloride

• ChemBase编号: 178552
• 分子式: C19H25ClN2OS
• 平均质量: 364.9326
• 单一同位素质量: 364.13761211
• SMILES: C1CN(CCC1N(c1ccccc1)C(=O)CC)Cc1sccc1.Cl
• Canonical SMILES: CCC(=O)N(c1ccccc1)C1CCN(CC1)Cc1cccs1.Cl
• InChI: InChI=1S/C19H24N2OS.ClH/c1-2-19(22)21(16-7-4-3-5-8-16)17-10-12-20(13-11-17)15-18-9-6-14-23-18;/h3-9,14,17H,2,10-13,15H2,1H3;1H
• InChIKey: PXIVVZPZKLVXAH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-phenyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide hydrochloride
• IUPAC传统名: N-phenyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide hydrochloride
• 别名: N-Phenyl-N-[1-(2-thienylmethyl)-4-piperidinyl]propanamide Monohydrochloride; NIH 10493; Thienyl Fentanyl Hydrochloride

登记号

• CAS号: 117332-93-1
• PubChem SID: 164234462
• PubChem CID: 46783063

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.6523456
• LogD (pH = 7.4): 2.4178727
• Log P: 3.4397187
• 摩尔折射率: 95.6174 cm^3
• 极化性: 37.141685 Å^3
• 极化表面积: 23.55 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Methanol
• 外观: Off-White Solid
• 熔点: >232°C (dec.)

安全信息

• 保存条件: Controlled Substance, -20°C Freezer

详细说明

Toronto Research Chemicals - T345600

Fentanyl analog. A drug opioid.Controlled Substance.

参考文献

• Hammargren, W., et al.: J. Anal. Toxicol., 12, 183 (1988)
• Sevarino, F., et al.: J. Clin. Anesth., 9, 173 (1988)
• Lambropoulos, J., et al.: J. Pharm. Biomed. Anal., 23, 421 (1988)
• Kornick, C., et al.: Drug Saf., 26, 951 (1988)