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CHEBI:3388 - carbamazepine-10,11-epoxide

Default Structure
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:
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.
marine xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
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