|
gptkbp:instanceOf
|
alkaloid
bronchodilator
|
|
gptkbp:aroma
|
odorless
|
|
gptkbp:ATCCode
|
R03DA04
|
|
gptkbp:bioavailability
|
variable (60–100%)
|
|
gptkbp:CASNumber
|
58-55-9
|
|
gptkbp:category
|
gptkb:methylxanthine
stimulant
respiratory system drug
|
|
gptkbp:chemicalFormula
|
C7H8N4O2
|
|
gptkbp:color
|
white
|
|
gptkbp:discoveredBy
|
gptkb:Albrecht_Kossel
|
|
gptkbp:discoveredIn
|
1888
|
|
gptkbp:eliminationHalfLife
|
8 hours (adults)
|
|
gptkbp:excretion
|
gptkb:kidney
|
|
gptkbp:flavor
|
bitter
|
|
gptkbp:foundIn
|
gptkb:café
cocoa
|
|
gptkbp:hasInChIKey
|
ZFXYFBGIUFBOJW-UHFFFAOYSA-N
|
|
gptkbp:hasSMILES
|
Cn1cnc2c1c(=O)n(C)c(=O)n2
|
|
https://www.w3.org/2000/01/rdf-schema#label
|
theophylline
|
|
gptkbp:IUPACName
|
1,3-dimethyl-7H-purine-2,6-dione
|
|
gptkbp:KEGGID
|
D08452
|
|
gptkbp:legalStatus
|
prescription only (varies by country)
|
|
gptkbp:mechanismOfAction
|
adenosine receptor antagonist
phosphodiesterase inhibitor
|
|
gptkbp:meltingPoint
|
273 °C
|
|
gptkbp:MeSH_ID
|
D013736
|
|
gptkbp:metabolism
|
liver
|
|
gptkbp:molecularWeight
|
180.164 g/mol
|
|
gptkbp:pregnancyCategory
|
C (US)
|
|
gptkbp:PubChem_CID
|
2153
2063
CHEMBL154
DB00277
|
|
gptkbp:relatedTo
|
caffeine
theobromine
|
|
gptkbp:routeOfAdministration
|
oral
intravenous
|
|
gptkbp:sideEffect
|
gptkb:arrhythmia
nausea
vomiting
insomnia
|
|
gptkbp:solubility
|
8 mg/mL (at 25 °C)
|
|
gptkbp:UNII
|
3G6A5W338E
|
|
gptkbp:usedFor
|
asthma
chronic obstructive pulmonary disease
|
|
gptkbp:bfsParent
|
gptkb:CYP1A2
gptkb:Erythromycin
gptkb:Fluoroquinolones
gptkb:riluzole
|
|
gptkbp:bfsLayer
|
5
|