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Chemical Entities of Biological Interest Ontology
| Preferred Name | ketamine | |
| Synonyms |
ketamine ketamina (+-)-ketamine 2-(methylamino)-2-(2-chlorophenyl)cyclohexanone NMDA 2-(o-chlorophenyl)-2-(methylamino)-cyclohexanone special K ketaminum 2-(2-Chloro-phenyl)-2-methylamino-cyclohexanone dl-ketamine DL-ketamine Ketamine 2-(2-chlorophenyl)-2-(methylamino)cyclohexanone KETAMINE |
|
| Definitions |
A member of the class of cyclohexanones in which one of the hydrogens at position 2 is substituted by a 2-chlorophenyl group, while the other is substituted by a methylamino group. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_6121 |
|
| charge |
0
|
|
| database_cross_reference |
Drug_Central:1523 CAS:100477-72-3 HMDB:HMDB0015352 DrugBank:DB01221 Wikipedia:Ketamine Patent:BE634208 CAS:6740-88-1 Patent:US3254124 VSDB:2978 Reaxys:2216965 KEGG:D08098 KEGG:C07525 PMID:3783598
|
|
| definition |
A member of the class of cyclohexanones in which one of the hydrogens at position 2 is substituted by a 2-chlorophenyl group, while the other is substituted by a methylamino group.
|
|
| formula |
C13H16ClNO
|
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_35703 http://purl.obolibrary.org/obo/CHEBI_38877 http://purl.obolibrary.org/obo/CHEBI_50910 http://purl.obolibrary.org/obo/CHEBI_35480 |
|
| has_alternative_id |
CHEBI:138833
|
|
| has_exact_synonym |
Ketamine 2-(2-chlorophenyl)-2-(methylamino)cyclohexanone KETAMINE
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
ketamine ketamina (+-)-ketamine 2-(methylamino)-2-(2-chlorophenyl)cyclohexanone NMDA 2-(o-chlorophenyl)-2-(methylamino)-cyclohexanone special K ketaminum 2-(2-Chloro-phenyl)-2-methylamino-cyclohexanone dl-ketamine DL-ketamine
|
|
| id |
CHEBI:6121
|
|
| 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
|
|
| inchikey |
YQEZLKZALYSWHR-UHFFFAOYSA-N
|
|
| label |
ketamine
|
|
| mass |
237.72500
|
|
| monoisotopicmass |
237.09204
|
|
| notation |
CHEBI:6121
|
|
| prefLabel |
ketamine
|
|
| smiles |
CNC1(CCCCC1=O)c1ccccc1Cl
|
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_50995 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_50995 |
| Delete | Subject | Author | Type | Created |
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