CHEBI:83532 - 10,11-trans-dihydroxy-10,11-dihydrocarbamazepine

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ChEBI Name 10,11-trans-dihydroxy-10,11-dihydrocarbamazepine
ChEBI ID CHEBI:83532
ChEBI ASCII Name 10,11-trans-dihydroxy-10,11-dihydrocarbamazepine
Definition A dibenzoazepine that is 10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide substituted by hydroxy groups at positions 10 and 11. It is a metabolite of the drug carbamazepine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000000896942
Download Molfile XML SDF
Formula C15H14N2O3
Net Charge 0
Average Mass 270.28330
Monoisotopic Mass 270.10044
InChI InChI=1S/C15H14N2O3/c16-15(20)17-11-7-3-1-5-9(11)13(18)14(19)10-6-2-4-8-12(10)17/h1-8,13-14,18-19H,(H2,16,20)/t13-,14-/m1/s1
InChIKey PRGQOPPDPVELEG-ZIAGYGMSSA-N
SMILES NC(=O)N1c2ccccc2[C@@H](O)[C@H](O)c2ccccc12
Roles Classification
Biological Role(s): drug metabolite

marine xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
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ChEBI Ontology
Outgoing 10,11-trans-dihydroxy-10,11-dihydrocarbamazepine (CHEBI:83532) has role drug metabolite (CHEBI:49103)
10,11-trans-dihydroxy-10,11-dihydrocarbamazepine (CHEBI:83532) has role marine xenobiotic metabolite (CHEBI:83399)
10,11-trans-dihydroxy-10,11-dihydrocarbamazepine (CHEBI:83532) is a dibenzoazepine (CHEBI:47804)
10,11-trans-dihydroxy-10,11-dihydrocarbamazepine (CHEBI:83532) is a diol (CHEBI:23824)
10,11-trans-dihydroxy-10,11-dihydrocarbamazepine (CHEBI:83532) is a ureas (CHEBI:47857)
Incoming (10R,11R)-dihydroxy-10,11-dihydrocarbamazepine (CHEBI:83816) is a 10,11-trans-dihydroxy-10,11-dihydrocarbamazepine (CHEBI:83532)
(10S,11S)-dihydroxy-10,11-dihydrocarbamazepine (CHEBI:83815) is a 10,11-trans-dihydroxy-10,11-dihydrocarbamazepine (CHEBI:83532)
IUPAC Name
rel-(10S,11S)-10,11-dihydroxy-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide
Registry Number Type Source
58955-93-4 CAS Registry Number ChemIDplus
Last Modified
12 May 2016
General Comment
2014-11-20 The metabolite is isolated as the trans-isomer as shown in the structure or its enantiomer.