Metabolomics Structure Database

 
MW REGNO: 37887
Common Name:Imipramine
Systematic Name:(3-{2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl}propyl)dimethylamine
RefMet Name:Imipramine
Synonyms: [PubChem Synonyms]
Exact Mass:
280.1939 (neutral)    Calculate m/z:
Formula:C19H24N2
InChIKey:BCGWQEUPMDMJNV-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:CN(C)CCCN1c2ccccc2CCc2ccccc12
Studies:Available studies (via RefMet name)

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Human Pathway links:

REACTOME pathways containing this metabolite

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

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