Metabolomics Structure Database

 
MW REGNO: 43579
Common Name:Prazepam
Systematic Name:7-chloro-1-(cyclopropylmethyl)-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one
RefMet Name:Prazepam
Synonyms: [PubChem Synonyms]
Exact Mass:
324.1029 (neutral)    Calculate m/z:
Formula:C19H17ClN2O
InChIKey:MWQCHHACWWAQLJ-UHFFFAOYSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Benzodiazepines [C0000295]
ClassyFire subclass:1,4-benzodiazepines [C0004097]
ClassyFire direct parent:1,4-benzodiazepines [C0004097]
MoNA MS spectra:View MS spectra
SMILES:c1ccc(cc1)C1=NCC(=O)N(CC2CC2)c2ccc(cc12)Cl
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:4890
CHEBI ID:195969
HMDB ID:HMDB0015527
KEGG ID:C07366
Chemspider ID:4721
EPA CompTox DB:DTXCID101181
Plant Metabolite Hub(Pmhub):MS000002411

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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