ethyl 1-methyl-4-phenylpiperidine-4-carboxylate hydrochloride

• ChemBase编号: 132036
• 分子式: C15H22ClNO2
• 平均质量: 283.79368
• 单一同位素质量: 283.13390663
• SMILES: CCOC(=O)C1(CCN(CC1)C)c1ccccc1.Cl
• Canonical SMILES: CCOC(=O)C1(CCN(CC1)C)c1ccccc1.Cl
• InChI: InChI=1S/C15H21NO2.ClH/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13;/h4-8H,3,9-12H2,1-2H3;1H
• InChIKey: WCNLCIJMFAJCPX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 1-methyl-4-phenylpiperidine-4-carboxylate hydrochloride
• IUPAC传统名: meperidine hydrochloride
• 别名: 哌替啶 盐酸盐; 1-Methyl-4-phenyl-4-piperidinecarboxylic Acid Ethyl Ester Hydrochloride; 1-Methyl-4-phenyl-isonipecotic Acid Ethyl Ester Hydrochloride; (+/-)-Pethidine Hydrochloride; Algil; Alodan; Antiduol; Centralgin; Demerol Hydrochloride; Dispadol; Dolantal; Dolantin; Dolaren; Dolargan; Dolcontral; Dolestine; Dolin; Dolosal; Dolsin; Ethyl 1-Methyl-4-phenylpiperidine-4-carboxylate Hydrochloride; Lidol; Mefedina; Mialgin; Meperidine Hydrochloride; 1-Methyl-4-phenylpiperidine-4-carboxylic acid ethyl ester hydrochloride; Pethidine hydrochloride; Meperidine hydrochloride

登记号

• CAS号: 50-13-5
• EC号: 200-013-3
• MDL号: MFCD00058210
• PubChem SID: 24896799; 162226313
• PubChem CID: 5750

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): -0.14636338
• LogD (pH = 7.4): 1.627321
• Log P: 2.4558003
• 摩尔折射率: 72.4837 cm^3
• 极化性: 28.46522 Å^3
• 极化表面积: 29.54 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

安全信息

• RTECS编号: NS5950000
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 联合国危险货物编号: 2811
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 25
• 安全公开号: 26-36/37/39-45
• GHS危险品标识: GHS06
• GHS警示词: Danger
• GHS危险声明: H301
• GHS警示性声明: P301 + P310
• 个人保护装置: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3
• 毒品管制信息: USDEA Schedule II; Home Office Schedule 2; stupéfiant; kontrollierte Droge in Deutschland; regulated under CDSA - not available from Sigma-Aldrich Canada

详细说明

Sigma Aldrich - M3142

Biochem/physiol Actions
Phenylpiperidine analgesic; sedative; μ opioid receptor agonist with greater κ opioid receptor agonist activity than morphine.

Toronto Research Chemicals - M223900

Analgesic; sedative; anesthetic.Controlled substance (opiate).

参考文献

• DeRossi, R., et al.: Vet. J., 178, 294 (2008)
• Hoecker, J., et al.: Anesthesiol., 109, 95 (2008)
• Fliri, A., et al.: J. Med. Chem., 52, 8038 (2008)