RefMet Compound Details
MW structure | 42563 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | N-Desmethylcitalopram | |
Systematic name | 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-1,3-dihydro-2-benzofuran-5-carbonitrile | |
SMILES | CNCCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 310.148141 (neutral) |
Table of KEGG reactions in human pathways involving N-Desmethylcitalopram
Rxn ID | KEGG Reaction | Enzyme |
---|---|---|
R08345 | Demethylcitalopram <=> Didemethylcitalopram | Demethylcitalopram <=> Didemethylcitalopram |
R08343 | Citalopram <=> Demethylcitalopram | Citalopram <=> Demethylcitalopram |
R08347 | Demethylcitalopram + Oxygen + H2O <=> Citalopram aldehyde + Methylamine + Hydrogen peroxide | Demethylcitalopram:oxygen oxidoreductase(deaminating)(flavin-containing) |
Table of KEGG human pathways containing N-Desmethylcitalopram
Pathway ID | Human Pathway | # of reactions |
---|---|---|
hsa00982 | Drug metabolism - cytochrome P450 | 3 |