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

Default Structure
ChEBI IDCHEBI:83532
ChEBI Name10,11-trans-dihydroxy-10,11-dihydrocarbamazepine
Stars
ASCII Name10,11-trans-dihydroxy-10,11-dihydrocarbamazepine
DefinitionA 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.
Last Modified12 May 2016
DownloadsMolfile
FormulaC15H14N2O3
Net Charge0
Average Mass270.288
Monoisotopic Mass270.10044
SMILESNC(=O)N1c2ccccc2[C@@H](O)[C@H](O)c2ccccc21
InChIInChI=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
InChIKeyPRGQOPPDPVELEG-ZIAGYGMSSA-N
Roles Classification
Biological Roles:
marine xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
(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 NumbersSources
CAS:58955-93-4ChemIDplus