RefMet Compound Details

MW structure43530 (View MW Metabolite Database details)
RefMet nameBezafibrate
Systematic name2-(4-{2-[(4-chlorophenyl)formamido]ethyl}phenoxy)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)Oc1ccc(cc1)CCNC(=O)c1ccc(cc1)Cl   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass361.108086 (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
FormulaC19H20ClNO4View other entries in RefMet with this formula
InChIInChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,
24)
InChIKeyIIBYAHWJQTYFKB-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassBenzenoids
Main ClassPhenoxyacetic acids
Sub ClassPhenoxyacetic acids
Pubchem CID39042
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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