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CHEBI:3388 - carbamazepine-10,11-epoxide

ChEBI IDCHEBI:3388
ChEBI Namecarbamazepine-10,11-epoxide
Stars
DefinitionAn epoxide and metabolite of carbamazepine.
Last Modified7 March 2019
DownloadsMolfile
FormulaC15H12N2O2
Net Charge0
Average Mass252.273
Monoisotopic Mass252.08988
SMILESNC(=O)N1c2ccccc2C2OC2c2ccccc21
InChIInChI=1S/C15H12N2O2/c16-15(18)17-11-7-3-1-5-9(11)13-14(19-13)10-6-2-4-8-12(10)17/h1-8,13-14H,(H2,16,18)
InChIKeyZRWWEEVEIOGMMT-UHFFFAOYSA-N
Roles Classification
Biological Roles:
marine xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
allergen  A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
ChEBI Ontology
Outgoing Relation(s)
carbamazepine-10,11-epoxide (CHEBI:3388) has functional parent carbamazepine (CHEBI:3387)
carbamazepine-10,11-epoxide (CHEBI:3388) has role allergen (CHEBI:50904)
carbamazepine-10,11-epoxide (CHEBI:3388) has role drug metabolite (CHEBI:49103)
carbamazepine-10,11-epoxide (CHEBI:3388) has role marine xenobiotic metabolite (CHEBI:83399)
carbamazepine-10,11-epoxide (CHEBI:3388) is a dibenzoazepine (CHEBI:47804)
carbamazepine-10,11-epoxide (CHEBI:3388) is a epoxide (CHEBI:32955)
carbamazepine-10,11-epoxide (CHEBI:3388) is a ureas (CHEBI:47857)
IUPAC Name 
1a,10b-dihydro-6H-dibenzo[b,f]oxireno[d]azepine-6-carboxamide
Synonyms  Source
10,11-EpoxycarbamazepineChemIDplus
Carbamazepine 10,11-oxideChemIDplus
Carbamazepine epoxideKEGG COMPOUND
Manual XrefsDatabases
C07496KEGG COMPOUND
HMDB0060658HMDB
Registry NumbersSources
Reaxys:1219988Reaxys
CAS:36507-30-9ChemIDplus
CAS:36507-30-9KEGG COMPOUND
Citations