RefMet Compound Details

MW structure43151 (View MW Metabolite Database details)
RefMet nameEprosartan
Systematic name4-({2-butyl-5-[(1E)-2-carboxy-2-(thiophen-2-ylmethyl)eth-1-en-1-yl]-1H-imidazol-1-yl}methyl)benzoic acid
SMILESCCCCc1ncc(/C=C(\Cc2cccs2)/C(=O)O)n1Cc1ccc(cc1)C(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass424.145680 (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
FormulaC23H24N2O4SView other entries in RefMet with this formula
InChIInChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,
6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+
InChIKeyOROAFUQRIXKEMV-LDADJPATSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassBenzenoids
Main ClassBenzenes
Sub ClassBenzoic acids
Pubchem CID5281037
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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