Metabolomics Structure Database
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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: | |
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: | - |
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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