|
gptkbp:instanceOf
|
gptkb:chemical_compound
|
|
gptkbp:ATCCode
|
N06BC01
|
|
gptkbp:boilingPoint
|
178°C (sublimes)
|
|
gptkbp:CASNumber
|
58-08-2
|
|
gptkbp:color
|
white
|
|
gptkbp:contains
|
gptkb:café
cola
energy drinks
|
|
gptkbp:drugClass
|
gptkb:stimulant
gptkb:adenosine_receptor_antagonist
|
|
gptkbp:eliminationHalfLife
|
3-7 hours (adults)
up to 100 hours (neonates)
|
|
gptkbp:excretion
|
urine
|
|
gptkbp:flavor
|
gptkb:bitter
|
|
gptkbp:hasInChIKey
|
RYYVLZVUVIJVGH-UHFFFAOYSA-N
|
|
gptkbp:hasMolecularFormula
|
C8H10N4O2
|
|
gptkbp:hasSMILES
|
Cn1cnc2c1c(=O)n(C)c(=O)n2C
|
|
gptkbp:hasUNII
|
3G6A5W338E
|
|
gptkbp:indication
|
drowsiness
migraine headache
asthma (historical)
management of fatigue
treatment of apnea of prematurity
|
|
gptkbp:isApprovedDrug
|
true
|
|
gptkbp:IUPACName
|
gptkb:1,3,7-trimethylpurine-2,6-dione
|
|
gptkbp:legalStatus
|
OTC (over-the-counter)
|
|
gptkbp:mechanismOfAction
|
gptkb:phosphodiesterase_inhibitor
nonselective antagonist of adenosine receptors
|
|
gptkbp:meltingPoint
|
238°C
|
|
gptkbp:metabolism
|
liver (CYP1A2)
|
|
gptkbp:molecularWeight
|
194.19
|
|
gptkbp:pregnancyCategory
|
Category C (US)
|
|
gptkbp:proteinBinding
|
36%
|
|
gptkbp:PubChem_CID
|
gptkb:DB03128
2519
27732
D00528
|
|
gptkbp:routeOfAdministration
|
oral
intravenous
|
|
gptkbp:sideEffect
|
nervousness
insomnia
tachycardia
gastrointestinal disturbance
|
|
gptkbp:structureType
|
gptkb:xanthine_derivative
|
|
gptkbp:synonym
|
gptkb:1,3,7-Trimethylxanthine
Caffeine
|
|
gptkbp:toxicity
|
arrhythmia (overdose)
seizures (overdose)
|
|
gptkbp:bfsParent
|
gptkb:acetylcholine
|
|
gptkbp:bfsLayer
|
7
|
|
https://www.w3.org/2000/01/rdf-schema#label
|
DB03128
|