Statements (16)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:chemical_compound
drug metabolite |
| gptkbp:CASNumber |
4741-77-3
|
| gptkbp:detects |
urine
human plasma |
| gptkbp:hasMolecularFormula |
C18H18FN2O
|
| gptkbp:hasRole |
pharmacologically active metabolite
|
| gptkbp:hasSMILES |
CN(C)CCC1(C2=CC=CC=C2C(OC3=CC=C(C#N)C=C3)=O)C4=CC=C(F)C=C4
|
| https://www.w3.org/2000/01/rdf-schema#label |
didesmethylcitalopram
|
| gptkbp:IUPACName |
1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile
|
| gptkbp:metabolism |
gptkb:citalopram
gptkb:escitalopram |
| gptkbp:product |
N-demethylation
|
| gptkbp:PubChem_CID |
443375
|
| gptkbp:bfsParent |
gptkb:citalopram
|
| gptkbp:bfsLayer |
6
|