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CHEBI:80596 - 2-Hydroxycarbamazepine

ChEBI IDCHEBI:80596
ChEBI Name2-Hydroxycarbamazepine
Stars
Last Modified12 May 2016
DownloadsMolfile
FormulaC15H12N2O2
Net Charge0
Average Mass252.273
Monoisotopic Mass252.08988
SMILESNC(=O)N1c2ccccc2C=Cc2cc(O)ccc21
InChIInChI=1S/C15H12N2O2/c16-15(19)17-13-4-2-1-3-10(13)5-6-11-9-12(18)7-8-14(11)17/h1-9,18H,(H2,16,19)
InChIKeyVPZIYMMSJFWLSP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-Hydroxycarbamazepine (CHEBI:80596) has functional parent 5H-dibenzo[b,f]azepin-2-ol (CHEBI:80599)
2-Hydroxycarbamazepine (CHEBI:80596) is a dibenzoazepine (CHEBI:47804)
2-Hydroxycarbamazepine (CHEBI:80596) is a ureas (CHEBI:47857)
Manual XrefsDatabases
C16601KEGG COMPOUND
HMDB0060651HMDB
Registry NumbersSources
CAS:68011-66-5KEGG COMPOUND