Statements (22)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:chemical_compound
metabolite |
| gptkbp:CASNumber |
gptkb:79617-96-2
|
| gptkbp:chemicalFormula |
C16H15Cl2N
|
| gptkbp:drugClass |
weak dopamine reuptake inhibitor
weak norepinephrine reuptake inhibitor weak serotonin reuptake inhibitor |
| gptkbp:excretion |
urine
|
| gptkbp:foundIn |
human plasma after sertraline administration
|
| gptkbp:hasInChIKey |
QJQYQKZDHGZBHD-UXBLZVDNSA-N
|
| gptkbp:hasSMILES |
Clc1ccc(cc1Cl)[C@H]2CC[C@@H](N)c3ccccc23
|
| https://www.w3.org/2000/01/rdf-schema#label |
desmethylsertraline
|
| gptkbp:isActiveMetaboliteOf |
gptkb:sertraline
|
| gptkbp:IUPACName |
1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenamine
|
| gptkbp:metabolism |
gptkb:sertraline
|
| gptkbp:molecularWeight |
292.2 g/mol
|
| gptkbp:producedBy |
N-demethylation of sertraline
|
| gptkbp:PubChem_CID |
71308
CHEBI:132755 CHEMBL2105832 |
| gptkbp:bfsParent |
gptkb:Sertraline
|
| gptkbp:bfsLayer |
7
|