formula of caffeine with structure
Answers
Caffeine
2D structure of caffeine
3D structure of caffeine
Clinical data
Pronunciation /kæˈfiːn, ˈkæfiːn/
Synonyms Guaranine
Methyltheobromine
1,3,7-Trimethylxanthine
Theine
AHFS/Drugs.com Monograph
Pregnancy
category
AU: A
US: C (Risk not ruled out)
Dependence
liability
Physical: low–moderate[1][2][3][4]
Psychological: low[5]
Addiction
liability Low[4] / none[1][2][3]
Routes of
administration By mouth, insufflation, enema, rectal, intravenous
Drug class Stimulant
ATC code
N06BC01 (WHO)
Legal status
Legal status
In general: unscheduled
Pharmacokinetic data
Bioavailability 99%[7]
Protein binding 25–36%[6]
Metabolism Primary: CYP1A2[6]
Minor: CYP2E1,[6] CYP3A4,[6] CYP2C8,[6] CYP2C9[6]
Metabolites Paraxanthine (84%)
Theobromine (12%)
Theophylline (4%)
Onset of action ~1 hour[7]
Elimination half-life Adults: 3–7 hours[6]
Infants: 65–130 hours[6]
Duration of action 3–4 hours[7]
Excretion Urine (100%)
Identifiers
IUPAC name[show]
CAS Number
58-08-2 ☑
PubChem CID
2519
IUPHAR/BPS
407
DrugBank
DB00201 ☑
ChemSpider
2424 ☑
UNII
3G6A5W338E
KEGG
D00528 ☑
ChEBI
CHEBI:27732 ☑
ChEMBL
CHEMBL113 ☑
PDB ligand
CFF (PDBe, RCSB PDB)
ECHA InfoCard 100.000.329 Edit this at Wikidata
Chemical and physical data
Formula C8H10N4O2
Molar mass 194.19 g/mol
3D model (JSmol)
Interactive image
Density 1.23 g/cm3
Melting point 235 to 238 °C (455 to 460 °F) (anhydrous)[8][9]
SMILES[show]
InChI[show]
See also: data page
Caffeine is a central nervous system (CNS) stimulant of the methylxanthine class.[10] It is the world's most widely consumed psychoactive drug. Unlike many other psychoactive substances, it is legal and unregulated in nearly all parts of the world. There are several known mechanisms of action to explain the effects of caffeine. The most prominent is that it reversibly blocks the action of adenosine on its receptor and consequently prevents the onset of drowsiness induced by adenosine. Caffeine also stimulates certain portions of the autonomic nervous system.
the Formula is:
C8H10N4O2