Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	68105
Common Name:	Licarbazepine
Systematic Name:	5-hydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
RefMet Name:	Licarbazepine
Synonyms:	10-Hydroxycarbazepine; 10-Hydroxycarbamazepine; 10-OH-Carbazepine; GP 47779 [PubChem Synonyms]
Exact Mass:	254.1055 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C15H14N2O2
InChIKey:	BMPDWHIDQYTSHX-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Benzazepines [C0000293]
ClassyFire subclass:	Dibenzazepines [C0000320]
ClassyFire direct parent:	Dibenzazepines [C0000320]
Massbank MS spectra:	View MS spectra
SMILES:	c1ccc2c(c1)CC(c1ccccc1N2C(=O)N)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	114709
CHEBI ID:	701
HMDB ID:	HMDB0060676
KEGG ID:	C07493
Plant Metabolite Hub(Pmhub):	MS000001372

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y