MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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oxcarbazepine

	Properties	Image
MNX_ID	MNXM12539
reference	chebi:7824
formula	C₁₅H₁₂N₂O₂
global charge	0
mol weight	252.273
InChIKey	CTRLABGOLIVAIY-UHFFFAOYSA-N
InChI	InChI=1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19)
SMILES	NC(=O)N1C2=C(C=CC=C2)CC(=O)C2=C1C=CC=C2

MNX internals

InChI (mnx)	InChI=1/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19)
SMILES (mnx)	[CH:1]1=[CH:3][CH:7]=[C:12]2[C:10](=[CH:5]1)[CH2:9][C:14](=[O:18])[C:11]1=[CH:6][CH:2]=[CH:4][CH:8]=[C:13]1[N:17]2[C:15](=[NH:16])[OH:19]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:7824 chebi:7824 CTRLABGOLIVAIY-UHFFFAOYSA-N	oxcarbazepine 10,11-Dihydro-10-oxo-5H-dibenz(b,f)azepine-5-carboxamide 10-oxo-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide Oxcarbazepine oxcarbazepina oxcarbazepinum
seed.compound:cpd04663 seedM:cpd04663 kegg.compound:C07492 keggC:C07492 CTRLABGOLIVAIY-UHFFFAOYSA-N	Oxcarbazepine
kegg.drug:D00533 keggD:D00533 CTRLABGOLIVAIY-UHFFFAOYSA-N	Oxcarbazepine (JAN/USP/INN) Oxtellar (TN) Trileptal (TN)
hmdb:HMDB0014914 CTRLABGOLIVAIY-UHFFFAOYSA-N	Oxcarbazepine 10,11-Dihydro-10-oxo-5H-dibenz(b,F)azepine-5-carboxamide 9-oxo-2-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide Desitin brand OF oxcarbazepine Novartis brand OF oxcarbazepine Oxcarbamazepine Oxcarbazepina Oxcarbazepinum Oxtellar Timox Trileptal oxcarbazepine
envipath:...65f603468a49 envipathM:...65f603468a49 CTRLABGOLIVAIY-UHFFFAOYSA-N	compound 0042047
hmdb:HMDB14914 keggC:M_C07492 keggD:M_D00533 seedM:M_cpd04663	secondary/obsolete/fantasy identifier