RefMet Compound Details

RefMet IDRM0059154
MW structure60819 (View MW Metabolite Database details)
RefMet nameDoxapram
Systematic name1-ethyl-4-[2-(morpholin-4-yl)ethyl]-3,3-diphenylpyrrolidin-2-one
SMILESCCN1C[C@H](CCN2CCOCC2)C(c2ccccc2)(c2ccccc2)C1=O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass378.230728 (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
FormulaC24H30N2O2View other entries in RefMet with this formula
InChIInChI=1S/C24H30N2O2/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,22H,2,13-19H2,1H
3/t22-/m0/s1
InChIKeyXFDJYSQDBULQSI-QFIPXVFZSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassBenzenoids
Main ClassBenzenes
Sub ClassDiphenylmethanes
Pubchem CID28248395
ChEBI ID59842
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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