Metabolomics Structure Database

 
MW REGNO: 53127
Common Name:Desipramine hydrochloride
Systematic Name:3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-methylpropan-1-amine hydrochloride
Synonyms:10,11-Dihydro-5-(3-(methylamino)propyl)-5H-dibenz(b,f)azepine hydrochloride; 10,11-Dihydro-5-(3-(methylamino)propyl)-5H-dibenz(b,f)azepine monohydrochloride; DMI hydrochloride; Demethylimipramine hydrochloride; Desimipramine, hydrochloride; Desipramine HCl; Desipramine monohydrochloride; Desmethylimipramine chloride; Desmethylimipramine hydrochloride; Desmethylimipramine monohydrochloride; Imipraminedemethyl hydrochloride; N-(gamma-Methylaminopropyl)iminodibenzyl hydrochloride [PubChem Synonyms]
Exact Mass:
302.1550 (neutral)    Calculate m/z:
Formula:C18H23ClN2
InChIKey:XAEWZDYWZHIUCT-UHFFFAOYSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Benzazepines [C0000293]
ClassyFire subclass:Dibenzazepines [C0000320]
ClassyFire direct parent:Dibenzazepines [C0000320]
SMILES:CNCCCN1c2ccccc2CCc2ccccc12.[Cl-].[H+]
Studies:-

Select appropriate tab below to view additional details:

External database links:

PubChem CID:657326
CHEBI ID:4449
EPA CompTox DB:DTXCID902896

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

  logo