Molecule ID: 49852367

IUPAC Name: [(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-methylazanium;chloride

Description: The molecule is the hydrochloride salt of esketamine. It has a role as an intravenous anaesthetic, a NMDA receptor antagonist and an analgesic. It contains an esketamine.

SMILES: CN[C@]1(c2ccccc2Cl)CCCCC1=O.Cl

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

InChI: InChI=1S/C13H16ClNO.ClH/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14;/h2-3,6-7,15H,4-5,8-9H2,1H3;1H/t13-;/m0./s1

Molecular Properties:
- Polar Surface Area: 33.7 Ų
- LogP: nan