Esketamine
(2S)-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one
Also Known As: Esketamine|l-Ketamine|(S)-Ketamine|(-)-Ketamine|S-Ketamine|Spravato|Ketaved|esketamina|Kataved|(S)-(-)-Ketamine|Keta-s|esketaminum|ketamine|Ketamine, s-|esketamine HCl|Ketamine, (s)-|S-(-)-Ketamine|S-Ketamin|(+)-Ketamine|Esketamine free base|S(+)-Ketamine|Esketamine hydrochloride|KETAMINE S-ISOMER|(S)-(+)-Ketamine|Esketamine [INN:BAN]|ESKETAMINE [INN]|Esketamine (USAN/INN)|ESKETAMINE [USAN]|(+)-ESKETAMINE|Esketamine [USAN:INN:BAN]|ESKETAMINE [WHO-DD]|Jnj-54135419|GTPL9152|(S)-2-(o-chlorophenyl)-2-(methylamino)cyclohexanone|33643-46-8 (free base)
| Molecular Formula | C13H16ClNO |
|---|---|
| Molecular Weight | 237.09204 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.09204 |
| Monoisotopic Mass | 237.09204 |
| Heavy Atoms | 16 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 33643-47-9 |
|---|---|
| SMILES | CN[C@@]1(CCCCC1=O)C2=CC=CC=C2Cl |
| InChIKey | YQEZLKZALYSWHR-ZDUSSCGKSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Esketamine (CAS 33643-47-9), with molecular formula C13H16ClNO and molecular weight 237.09204 g/mol. IUPAC: (2S)-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one.