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CHEBI:7824 - oxcarbazepine

ChEBI IDCHEBI:7824
ChEBI Nameoxcarbazepine
Stars
DefinitionA dibenzoazepine derivative, having a carbamoyl group at the ring nitrogen, substituted with an oxo group at C-4 of the azepeine ring which is also hydrogenated at C-4 and C-5. It is a anticholinergic anticonvulsant and mood stabilizing drug, used primarily in the treatment of epilepsy.
Last Modified12 March 2019
DownloadsMolfile
FormulaC15H12N2O2
Net Charge0
Average Mass252.273
Monoisotopic Mass252.08988
SMILESNC(=O)N1c2ccccc2CC(=O)c2ccccc21
InChIInChI=1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19)
InChIKeyCTRLABGOLIVAIY-UHFFFAOYSA-N
Roles Classification
Biological Role:
drug allergen  Any drug which causes the onset of an allergic reaction.
Applications:
drug allergen  Any drug which causes the onset of an allergic reaction.
anticonvulsant  A drug used to prevent seizures or reduce their severity.
ChEBI Ontology
Outgoing Relation(s)
oxcarbazepine (CHEBI:7824) has part carbamoyl group (CHEBI:23004)
oxcarbazepine (CHEBI:7824) has role anticonvulsant (CHEBI:35623)
oxcarbazepine (CHEBI:7824) has role drug allergen (CHEBI:88188)
oxcarbazepine (CHEBI:7824) is a cyclic ketone (CHEBI:3992)
oxcarbazepine (CHEBI:7824) is a dibenzoazepine (CHEBI:47804)
IUPAC Name 
10-oxo-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide
INNs  Source
oxcarbazepinumChemIDplus
oxcarbazepinaChemIDplus
oxcarbazepineChemIDplus
Synonyms  Source
OxcarbazepineKEGG COMPOUND
10,11-Dihydro-10-oxo-5H-dibenz(b,f)azepine-5-carboxamideChemIDplus
Manual XrefsDatabases
C07492KEGG COMPOUND
D00533KEGG DRUG
LSM-5219LINCS
2017DrugCentral
Registry NumbersSources
CAS:28721-07-5KEGG COMPOUND
CAS:28721-07-5ChemIDplus
Citations