Cocaine, 2-carbomethoxy-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane
URI: https://gptkb.org/entity/Cocaine,_2-carbomethoxy-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane
GPTKB entity
Statements (48)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:chemical_compound
alkaloid |
| gptkbp:actsOn |
central nervous system
|
| gptkbp:boilingPoint |
187 °C (decomposes)
|
| gptkbp:CASNumber |
50-36-2
|
| gptkbp:eliminationHalfLife |
0.7–1.5 hours
|
| gptkbp:excretion |
urine
|
| gptkbp:foundIn |
gptkb:Erythroxylum_coca
|
| gptkbp:hasInChIKey |
InChI=1S/C17H21NO4/c1-18-10-9-11-12(13(18)7-8-15(11)21-17(20)19-2)22-16(19)14-5-3-4-6-14/h3-6,11-13H,7-10H2,1-2H3/t11-,12+,13-/
|
| gptkbp:hasMolecularFormula |
C17H21NO4
|
| gptkbp:hasSMILES |
CN1C2CCC1C(C2OC(=O)C)OC(=O)C3=CC=CC=C3
|
| https://www.w3.org/2000/01/rdf-schema#label |
Cocaine, 2-carbomethoxy-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane
|
| gptkbp:inhibitedBy |
serotonin reuptake
dopamine reuptake norepinephrine reuptake |
| gptkbp:IUPACName |
methyl (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
|
| gptkbp:legalStatus |
gptkb:Class_A_(UK)
gptkb:Schedule_II_(US) List I (UN) |
| gptkbp:mass |
303.353 g/mol
|
| gptkbp:meltingPoint |
98 °C
|
| gptkbp:metabolism |
liver
|
| gptkbp:PubChem_CID |
446220
|
| gptkbp:routeOfAdministration |
oral
topical inhalation intravenous intranasal |
| gptkbp:sideEffect |
gptkb:arrhythmia
addiction death myocardial infarction stroke anxiety hypertension paranoia seizures insomnia mydriasis tachycardia euphoria |
| gptkbp:synonym |
gptkb:benzoylmethylecgonine
cocaine methyl benzoylecgonine |
| gptkbp:usedFor |
local anesthetic
stimulant |
| gptkbp:bfsParent |
gptkb:Cobracaine
|
| gptkbp:bfsLayer |
8
|