Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	154283
Common Name:	Meptazinol
Systematic Name:	3-(3-ethyl-1-methylazepan-3-yl)phenol
Synonyms:	[PubChem Synonyms]
Exact Mass:	233.1780 (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:	C15H23NO
InChIKey:	JLICHNCFTLFZJN-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Azepanes [C0000307]
ClassyFire subclass:	Azepanes [C0000307]
Massbank MS spectra:	View MS spectra
SMILES:	CCC1(CCCCN(C)C1)c1cccc(c1)O
Studies:	Available studies(via PubChem CID)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	41049
CHEBI ID:	91484
HMDB ID:	HMDB0254458
Drugbank ID:	DB13478
CHEMBL ID:	CHEMBL314437
Plant Metabolite Hub(Pmhub):	MS000002698

Calculated physicochemical properties:

No data available

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