RefMet Compound Details

MW structure53374 (View MW Metabolite Database details)
RefMet namePramocaine
Systematic name4-[3-(4-butoxyphenoxy)propyl]morpholine
SMILESCCCCOc1ccc(cc1)OCCCN1CCOCC1   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass293.199094 (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
FormulaC17H27NO3View other entries in RefMet with this formula
InChIInChI=1S/C17H27NO3/c1-2-3-12-20-16-5-7-17(8-6-16)21-13-4-9-18-10-14-19-15-11-18/h5-8H,2-4,9-15H2,1H3
InChIKeyDQKXQSGTHWVTAD-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassBenzenoids
Main ClassPhenols
Sub ClassPhenol ethers
Pubchem CID4886
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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