carbamazepine-10,11-epoxide (CHEBI:3388)

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ChEBI Name	carbamazepine-10,11-epoxide

ChEBI ID	CHEBI:3388

Definition	An epoxide and metabolite of carbamazepine.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C15H12N2O2

Net Charge

Average Mass

252.26800

Monoisotopic Mass

252.08988

InChI

InChI=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)

InChIKey

ZRWWEEVEIOGMMT-UHFFFAOYSA-N

SMILES

NC(=O)N1c2ccccc2C2OC2c2ccccc12

Roles Classification
Biological Role(s):	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. drug metabolite marine xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.

ChEBI Ontology
Outgoing	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

Last Modified

07 March 2019