methyl 1-(3-methoxy-3-oxopropyl)-4-(N-phenylpropanamido)piperidine-4-carboxylate hydrochloride

• ChemBase编号: 153234
• 分子式: C20H29ClN2O5
• 平均质量: 412.90766
• 单一同位素质量: 412.17649972
• SMILES: CCC(=O)N(c1ccccc1)C1(CCN(CC1)CCC(=O)OC)C(=O)OC.Cl
• Canonical SMILES: COC(=O)C1(CCN(CC1)CCC(=O)OC)N(c1ccccc1)C(=O)CC.Cl
• InChI: InChI=1S/C20H28N2O5.ClH/c1-4-17(23)22(16-8-6-5-7-9-16)20(19(25)27-3)11-14-21(15-12-20)13-10-18(24)26-2;/h5-9H,4,10-15H2,1-3H3;1H
• InChIKey: WFBMIPUMYUHANP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl 1-(3-methoxy-3-oxopropyl)-4-(N-phenylpropanamido)piperidine-4-carboxylate hydrochloride
• IUPAC传统名: remifentanil hydrochloride
• 别名: 4-(Methoxycarbonyl)-4-[(1-oxopropyl)phenylamino]-1-piperidinepropanoic Acid Methyl Ester Hydrochloride; Remifentanyl Hydrochloride; GI 87084B; Remifentanil Hydrochloride; 3-[methoxycarbonyl-4-[(1-oxopropyl)phenylamino]1-piperidine]propanoic acid methyl ester hydrochloride; GI-87084B; Remifentanyl; Ultiva; Remifentanil hydrochloride

登记号

• CAS号: 132539-07-2
• MDL号: MFCD00910882
• PubChem SID: 162247373
• PubChem CID: 60814

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -0.48355016
• LogD (pH = 7.4): 1.1568937
• Log P: 1.5152788
• 摩尔折射率: 100.5615 cm^3
• 极化性: 39.659138 Å^3
• 极化表面积: 76.15 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; H2O: ≥20 mg/mL; Methanol
• 外观: white to off-white powder; White to Off-White Solid
• 熔点: 192-197°C

安全信息

• 保存条件: Controlled Substance, -20°C Freezer
• 德国WGK号: 3
• 毒品管制信息: USDEA Schedule II
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥97% (HPLC)
• Empirical Formula (Hill Notation): C20H28N2O5·HCl

详细说明

Sigma Aldrich - R1908

Biochem/physiol Actions
Remifentanil hydrochloride is a mu opioid receptor agonist, anesthetic, and analgesic compound. Remifentanil was developed as an ultra-short-acting mu opioid receptor agonist with improved pharmacodynamic properties.

Toronto Research Chemicals - R143500

Labelled synthetic mu-opioid agonist. This is a controlled substance (opiate).

参考文献

• James, M.K., et al.: J. Pharmacol. Exp. Ther., 259, 712 (1991)
• Hoffman, W.E., et al.: Anesthesiology, 79, 107 (1991)
• Selinger, K., et al.: J. Pharm. Biomed. Anal., 12, 243 (1991)
• Richardson, T.D., et al.: Expert Opin. Drug Saf., 4, 643 (1991)