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Chemical Entities of Biological Interest Ontology
Last uploaded:
December 1, 2024
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| Preferred Name | esketamine | |
| Synonyms |
esketamine (S)-2-(o-chlorophenyl)-2-(methylamino)cyclohexanone (S)-(-)-ketamine (-)-ketamine (S)-ketamine (2S)-2-(2-chlorophenyl)-2-(methylamino)cyclohexanone |
|
| Definitions |
The S- (more active) enantiomer of ketamine. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_60799 |
|
| charge |
0
|
|
| database_cross_reference |
DrugBank:DB01221 CAS:33643-46-8 KEGG:D07283 Reaxys:4295313 Drug_Central:4468
|
|
| definition |
The S- (more active) enantiomer of ketamine.
|
|
| formula |
C13H16ClNO
|
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_38877 |
|
| has_exact_synonym |
(2S)-2-(2-chlorophenyl)-2-(methylamino)cyclohexanone
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
esketamine (S)-2-(o-chlorophenyl)-2-(methylamino)cyclohexanone (S)-(-)-ketamine (-)-ketamine (S)-ketamine
|
|
| id |
CHEBI:60799
|
|
| in_subset | ||
| inchi |
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 |
YQEZLKZALYSWHR-ZDUSSCGKSA-N
|
|
| is enantiomer of | ||
| label |
esketamine
|
|
| mass |
237.72500
|
|
| monoisotopicmass |
237.09204
|
|
| notation |
CHEBI:60799
|
|
| prefLabel |
esketamine
|
|
| smiles |
CN[C@@]1(CCCCC1=O)c1ccccc1Cl
|
|
| treeView | ||
| subClassOf |
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