|
gptkbp:instanceOf
|
gptkb:chemical_compound
alkaloid
|
|
gptkbp:aroma
|
odorless
|
|
gptkbp:boilingPoint
|
178 °C (sublimes)
|
|
gptkbp:CASNumber
|
58-08-2
|
|
gptkbp:category
|
gptkb:food
gptkb:drug
substance abuse
alkaloid
stimulant
|
|
gptkbp:chemicalFormula
|
C8H10N4O2
|
|
gptkbp:color
|
white
|
|
gptkbp:density
|
1.23 g/cm³
|
|
gptkbp:discoveredBy
|
gptkb:Friedlieb_Ferdinand_Runge
|
|
gptkbp:discoveredIn
|
1819
|
|
gptkbp:effect
|
stimulant
diuretic
increases alertness
|
|
gptkbp:eliminationHalfLife
|
3–7 hours (adults)
|
|
gptkbp:enemyOf
|
gptkb:adenosine_receptor
|
|
gptkbp:flavor
|
bitter
|
|
gptkbp:foundIn
|
gptkb:café
cocoa
cola
energy drinks
|
|
gptkbp:hasInChIKey
|
RYYVLZVUVIJVGH-UHFFFAOYSA-N
|
|
https://www.w3.org/2000/01/rdf-schema#label
|
caffein
|
|
gptkbp:IUPACName
|
1,3,7-Trimethylpurine-2,6-dione
|
|
gptkbp:LD50
|
192 mg/kg (rat, oral)
|
|
gptkbp:legalStatus
|
legal
|
|
gptkbp:meltingPoint
|
235–238 °C
|
|
gptkbp:MeSH_ID
|
D002110
|
|
gptkbp:metabolism
|
gptkb:theophylline
liver
theobromine
paraxanthine
|
|
gptkbp:molecularWeight
|
194.19 g/mol
|
|
gptkbp:PubChem_CID
|
2519
27732
DB00201
CHEMBL113
|
|
gptkbp:riskFactor
|
H302 (harmful if swallowed)
|
|
gptkbp:routeOfAdministration
|
oral
intravenous
rectal
|
|
gptkbp:sideEffect
|
addiction
anxiety
tremor
increased heart rate
insomnia
|
|
gptkbp:solubility
|
2.17 g/100 mL (25 °C)
|
|
gptkbp:UNII
|
3G6A5W338E
|
|
gptkbp:usedAs
|
gptkb:food
recreational drug
|
|
gptkbp:bfsParent
|
gptkb:CHEBI:41921
|
|
gptkbp:bfsLayer
|
8
|