RefMet Compound Details

MW structure50027 (View MW Metabolite Database details)
RefMet nameTetracaine
Systematic name2-(dimethylamino)ethyl 4-(butylamino)benzoate
SMILESCCCCNc1ccc(cc1)C(=O)OCCN(C)C   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass264.183778 (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
FormulaC15H24N2O2View other entries in RefMet with this formula
InChIInChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
InChIKeyGKCBAIGFKIBETG-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassBenzenoids
Main ClassBenzenes
Sub ClassBenzoic acid esters
Pubchem CID5411
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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