RefMet Compound Details

RefMet IDRM0016312
MW structure42739 (View MW Metabolite Database details)
RefMet nameMeprobamate
Systematic name2-[(carbamoyloxy)methyl]-2-methylpentyl carbamate
SMILESCCCC(C)(COC(=O)N)COC(=O)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass218.126658 (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
FormulaC9H18N2O4View other entries in RefMet with this formula
InChIInChI=1S/C9H18N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13)
InChIKeyNPPQSCRMBWNHMW-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic oxygen compounds
Main ClassCarbonyl compounds
Sub ClassUrethanes
Pubchem CID4064
ChEBI ID6761
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
  logo