|
gptkbp:instanceOf
|
gptkb:chemical_compound
gptkb:xanthine_derivative
gptkb:alkaloid
|
|
gptkbp:ATCCode
|
N06BC01
|
|
gptkbp:boilingPoint
|
178°C (sublimes)
|
|
gptkbp:CASNumber
|
58-08-2
|
|
gptkbp:commonName
|
caffeine
|
|
gptkbp:effect
|
diuretic effect
increases alertness
reduces fatigue
stimulates central nervous system
|
|
gptkbp:excretion
|
gptkb:kidney
|
|
gptkbp:foundIn
|
gptkb:café
cola
energy drinks
|
|
gptkbp:halfLife
|
3-7 hours
|
|
gptkbp:hasInChIKey
|
RYYVLZVUVIJVGH-UHFFFAOYSA-N
|
|
gptkbp:hasMolecularFormula
|
C8H10N4O2
|
|
gptkbp:hasSMILES
|
CN1C=NC2=C1C(=O)N(C(=O)N2C)C
|
|
gptkbp:hasUNII
|
3G6A5W338E
|
|
gptkbp:isSolubleIn
|
gptkb:water
gptkb:Ether
gptkb:chloroform
ethanol
|
|
gptkbp:IUPACName
|
gptkb:1,3,7-trimethylpurine-2,6-dione
|
|
gptkbp:legalStatus
|
legal
|
|
gptkbp:meltingPoint
|
238°C
|
|
gptkbp:metabolism
|
liver
|
|
gptkbp:molecularWeight
|
194.19 g/mol
|
|
gptkbp:producedBy
|
plants
|
|
gptkbp:PubChem_CID
|
2519
27732
2424
DB00201
|
|
gptkbp:relatedTo
|
gptkb:theophylline
theobromine
paraxanthine
|
|
gptkbp:toxicity
|
gptkb:dog
cats
|
|
gptkbp:usedFor
|
gptkb:recreational_drug
gptkb:stimulant
|
|
gptkbp:usedIn
|
pharmaceuticals
cosmetics
beverages
food industry
|
|
gptkbp:wasFirstIsolatedBy
|
gptkb:Friedlieb_Ferdinand_Runge
|
|
gptkbp:wasFirstIsolatedIn
|
1819
|
|
gptkbp:bfsParent
|
gptkb:CHEBI:41921
|
|
gptkbp:bfsLayer
|
8
|
|
https://www.w3.org/2000/01/rdf-schema#label
|
trimethylxanthine
|