JC9
Summary
| Name: | (2~{S})-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one |
| Synonyms: | Esketamine |
| Formula: | C13 H16 Cl N O |
| Formal charge: | 0 |
| Formula weight: | 237.725 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H16ClNO/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/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | YQEZLKZALYSWHR-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN[C@@]1(CCCCC1=O)c2ccccc2Cl |
| SMILES | CACTVS | 3.385 | CN[C]1(CCCCC1=O)c2ccccc2Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN[C@@]1(CCCCC1=O)c2ccccc2Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNC1(CCCCC1=O)c2ccccc2Cl |
