trimethylxanthine

GPTKB entity

Statements (50)
Predicate Object
gptkbp:instanceOf gptkb:chemical_compound
alkaloid
xanthine derivative
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
https://www.w3.org/2000/01/rdf-schema#label trimethylxanthine
gptkbp:isSolubleIn gptkb:water
gptkb:chloroform
ethanol
Ether
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 recreational drug
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