RefMet Compound Details

MW structure54419 (View MW Metabolite Database details)
RefMet nameAtenolol
Systematic name2-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)acetamide
SMILESCC(C)NC[C@@H](COc1ccc(cc1)CC(=O)N)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass266.163043 (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
FormulaC14H22N2O3View other entries in RefMet with this formula
InChIKeyMETKIMKYRPQLGS-LBPRGKRZSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassBenzenoids
Main ClassPhenols
Sub ClassPhenol ethers
Pubchem CID175540
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)