Statements (22)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:chemical_compound
alkaloid cocaine metabolite |
| gptkbp:CASNumber |
553-99-1
|
| gptkbp:chemicalFormula |
C16H19NO3
|
| gptkbp:contains_functional_group |
gptkb:tropane
estrogen benzoyl group |
| gptkbp:foundIn |
human urine after cocaine use
|
| gptkbp:hasInChIKey |
QJYVZQXEXBSZPM-UHFFFAOYSA-N
|
| gptkbp:hasSMILES |
CN1C2CCC1C(C2)OC(=O)C3=CC=CC=C3
|
| https://www.w3.org/2000/01/rdf-schema#label |
norcocaine
|
| gptkbp:is_a_minor_metabolite_of |
cocaine
|
| gptkbp:is_structurally_related_to |
cocaine
|
| gptkbp:IUPACName |
gptkb:methyl_(1R,2R,3S,5S)-3-(benzoyloxy)-8-azabicyclo[3.2.1]octane-2-carboxylate
|
| gptkbp:metabolism |
cocaine
|
| gptkbp:molecularWeight |
273.33 g/mol
|
| gptkbp:producedBy |
N-demethylation of cocaine
|
| gptkbp:PubChem_CID |
12388
|
| gptkbp:used_in |
forensic toxicology
|
| gptkbp:bfsParent |
gptkb:Cocaine
|
| gptkbp:bfsLayer |
6
|