Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	67955
Common Name:	10,11-Dihydroxycarbamazepine
Systematic Name:	5,6-dihydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
Synonyms:	10,11-Dihydro-10,11-dihydroxy-5H-dibenzazepine-5-carboxamide; Carbazepine 10,11-diol; Cbz-diol; Dihydroxycarbazepine; CBZD [PubChem Synonyms]
Exact Mass:	270.1004 (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:	C15H14N2O3
InChIKey:	PRGQOPPDPVELEG-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Benzazepines [C0000293]
ClassyFire subclass:	Dibenzazepines [C0000320]
ClassyFire direct parent:	Dibenzazepines [C0000320]
MoNA MS spectra:	View MS spectra
SMILES:	c1ccc2c(c1)C(C(c1ccccc1N2C(=O)N)O)O
Studies:	Available studies(via PubChem CID)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	83852
KEGG ID:	C07495
Plant Metabolite Hub(Pmhub):	MS000001978

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