|
gptkbp:instanceOf
|
gptkb:chemical_compound
substance abuse
|
|
gptkbp:CASNumber
|
186028-79-5
|
|
gptkbp:chemicalFormula
|
C11H13NO3
|
|
gptkbp:discoveredBy
|
gptkb:Alexander_Shulgin
|
|
gptkbp:effect
|
stimulant
entactogenic
empathogenic
|
|
gptkbp:excretion
|
gptkb:kidney
|
|
gptkbp:firstDescribed
|
1996
|
|
gptkbp:halfLife
|
5.8–6.9 hours
|
|
gptkbp:hasInChIKey
|
InChI=1S/C11H13NO3/c1-7(12-2)11(13)8-3-4-9-10(5-8)15-6-14-9/h3-5,7,12H,6H2,1-2H3
|
|
gptkbp:hasSMILES
|
CC(C(=O)C1=CC2=C(C=C1)OCO2)NC
|
|
https://www.w3.org/2000/01/rdf-schema#label
|
bk-MDMA
|
|
gptkbp:IUPACName
|
1-(1,3-benzodioxol-5-yl)-2-(methylamino)propan-1-one
|
|
gptkbp:legalStatus
|
gptkb:Class_B_(UK)
gptkb:Schedule_III_(Canada)
gptkb:Schedule_I_(US)
|
|
gptkbp:metabolism
|
liver
|
|
gptkbp:molecularWeight
|
207.23 g/mol
|
|
gptkbp:otherName
|
gptkb:Methylone
gptkb:3,4-methylenedioxy-N-methylcathinone
|
|
gptkbp:PubChem_CID
|
45357845
21106318
CHEMBL127347
|
|
gptkbp:relatedTo
|
gptkb:MDMA
cathinone
|
|
gptkbp:routeOfAdministration
|
oral
insufflation
|
|
gptkbp:structure
|
beta-keto analogue of MDMA
|
|
gptkbp:UNII
|
3C8S4C3U1H
|
|
gptkbp:usedFor
|
recreational drug
research chemical
|
|
gptkbp:bfsParent
|
gptkb:Methylone
|
|
gptkbp:bfsLayer
|
7
|