DB03128

GPTKB entity

Statements (51)
Predicate Object
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 stimulant
adenosine receptor antagonist
gptkbp:eliminationHalfLife 3-7 hours (adults)
up to 100 hours (neonates)
gptkbp:excretion urine
gptkbp:flavor bitter
gptkbp:hasInChIKey RYYVLZVUVIJVGH-UHFFFAOYSA-N
gptkbp:hasMolecularFormula C8H10N4O2
gptkbp:hasSMILES Cn1cnc2c1c(=O)n(C)c(=O)n2C
gptkbp:hasUNII 3G6A5W338E
https://www.w3.org/2000/01/rdf-schema#label DB03128
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 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 xanthine derivative
gptkbp:synonym gptkb:1,3,7-Trimethylxanthine
Caffeine
gptkbp:toxicity arrhythmia (overdose)
seizures (overdose)
gptkbp:bfsParent gptkb:acetylcholine
gptkbp:bfsLayer 7