RefMet Compound Details

MW structure58744 (View MW Metabolite Database details)
RefMet 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
SMILESCN1CCN(CC1)C(=O)O[C@@H]1c2[n]cc[n]c2C(=O)N1c1ccc(Cl)c[n]1
Exact mass388.105067 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC17H17ClN6O3View other entries in RefMet with this formula
InChIInChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3/t16-/m1/s1
InChIKeyGBBSUAFBMRNDJC-MRXNPFEDSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganoheterocyclic compounds
Main ClassCyclopyrrolones
Sub ClassCyclopyrrolones
Pubchem CID941731
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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