|
gptkbp:instanceOf
|
alkaloid
opioid
|
|
gptkbp:ATCCode
|
N02AA10
|
|
gptkbp:boilingPoint
|
Not applicable (decomposes)
|
|
gptkbp:CASNumber
|
115-37-7
|
|
gptkbp:chemicalFormula
|
C19H21NO3
|
|
gptkbp:color
|
white
|
|
gptkbp:controlledSubstanceSchedule
|
gptkb:Australia
gptkb:Canada
gptkb:United_Kingdom
gptkb:United_States
|
|
gptkbp:density
|
1.24 g/cm³
|
|
gptkbp:flavor
|
bitter
|
|
gptkbp:foundIn
|
gptkb:Papaver_orientale
gptkb:Papaver_somniferum
gptkb:opium_poppy
gptkb:Papaver_bracteatum
|
|
gptkbp:hasInChIKey
|
UNXHWFMMPAWVPI-UHFFFAOYSA-N
|
|
gptkbp:hasPsychoactiveEffects
|
stimulant-like
|
|
gptkbp:hasSMILES
|
COC1=C2C3=C(C=C1)N([C@@H]4Cc5ccc(OC)cc5[C@H]3CC4)C=C2
|
|
gptkbp:hasUNII
|
QO4R4D9D5D
|
|
https://www.w3.org/2000/01/rdf-schema#label
|
Thebaine
|
|
gptkbp:isNotUsedAsAnalgesic
|
true
|
|
gptkbp:isNotUsedMedically
|
true
|
|
gptkbp:isStructurallyRelatedTo
|
gptkb:codeine
gptkb:morphine
gptkb:noscapine
gptkb:oripavine
papaverine
|
|
gptkbp:IUPACName
|
gptkb:(5α,6α)-7,8-didehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan
|
|
gptkbp:legalStatus
|
gptkb:Class_A_(UK)
gptkb:Schedule_II_(US)
gptkb:Schedule_8_(Australia)
Schedule I (Canada)
|
|
gptkbp:meltingPoint
|
193°C
|
|
gptkbp:molecularWeight
|
311.38 g/mol
|
|
gptkbp:predecessor
|
gptkb:oxycodone
gptkb:nalbuphine
gptkb:oxymorphone
gptkb:naloxone
gptkb:buprenorphine
gptkb:etorphine
gptkb:naltrexone
hydrocodone
nalmefene
|
|
gptkbp:PubChem_CID
|
28315
5359
DB13598
|
|
gptkbp:solubility
|
slightly soluble
|
|
gptkbp:toxicity
|
true
|
|
gptkbp:usedFor
|
pharmaceutical synthesis
|
|
gptkbp:wasFirstIsolatedBy
|
gptkb:Pierre_Jean_Robiquet
|
|
gptkbp:wasFirstIsolatedIn
|
1832
|
|
gptkbp:bfsParent
|
gptkb:Poppy
gptkb:Opiate
|
|
gptkbp:bfsLayer
|
5
|