Metabolomics Structure Database

 
MW REGNO: 58744
Common Name:(5R)-zopiclone
Systematic Name:(5R)-6-(5-chloropyridin-2-yl)-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-yl 4-methylpiperazine-1-carboxylate
RefMet Name:(5R)-Zopiclone
Synonyms: [PubChem Synonyms]
Exact Mass:
388.1051 (neutral)    Calculate m/z:
Formula:C17H17ClN6O3
InChIKey:GBBSUAFBMRNDJC-MRXNPFEDSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Pyrrolopyrazines [C0000343]
ClassyFire subclass:Cyclopyrrolones [C0000192]
ClassyFire direct parent:Cyclopyrrolones [C0000192]
MoNA MS spectra:View MS spectra
SMILES:CN1CCN(CC1)C(=O)O[C@@H]1c2c(C(=O)N1c1ccc(cn1)Cl)nccn2
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:941731
CHEBI ID:53762

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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