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CHEBI:80597 - 3-Hydroxycarbamazepine

ChEBI IDCHEBI:80597
ChEBI Name3-Hydroxycarbamazepine
Stars
Last Modified12 May 2016
DownloadsMolfile
FormulaC15H12N2O2
Net Charge0
Average Mass252.273
Monoisotopic Mass252.08988
SMILESNC(=O)N1c2ccccc2C=Cc2ccc(O)cc21
InChIInChI=1S/C15H12N2O2/c16-15(19)17-13-4-2-1-3-10(13)5-6-11-7-8-12(18)9-14(11)17/h1-9,18H,(H2,16,19)
InChIKeyQQCFBZCATDIWTH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Hydroxycarbamazepine (CHEBI:80597) is a dibenzoazepine (CHEBI:47804)
3-Hydroxycarbamazepine (CHEBI:80597) is a ureas (CHEBI:47857)
Manual XrefsDatabases
C16602KEGG COMPOUND
HMDB0060653HMDB
Registry NumbersSources
CAS:68011-67-6KEGG COMPOUND