Molecule ID: 5750

IUPAC Name: ethyl 1-methyl-4-phenylpiperidine-4-carboxylate;hydrochloride

Description: The molecule is the hydrochloride salt of pethidine. An analgesic used for the treatment of postoperative and labour pain. It has a role as a kappa-opioid receptor agonist, a mu-opioid receptor agonist, an antispasmodic drug and an opioid analgesic. It contains a pethidine(1+).

SMILES: CCOC(=O)C1(c2ccccc2)CCN(C)CC1.Cl

SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Branch1][C][C][C][C][Ring1][=N].[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

Molecular Properties:
- Polar Surface Area: 29.5 Ų
- LogP: nan