Caffeine

CAS: 58-08-2

Ref. TR-C080100

Product Information

• Name: Caffeine
• Synonyms: 3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione, 1,3,7-Trimethyl-2,6-dioxopurine, 1,3,7-Trimethyl-7H-purine-2,6-dione, 1,3,7-Trimethylxanthine, 7-Methyltheophylline, Alert-Pep, Asia migrine, Cafalgine, Cafeina, Caffedrine, Caffein, Cafipel, DHCplus, Dasin, Diurex, Durvitan, Guaranine, Koffein, Mateina, Methyltheobromine, Midron extra, Miudol, NSC 5036, New Cetamol, No-Doz, Palergot-C, Phensal, Refresh'n, Shape Plus, Stay Alert, Stim, Synalgos, Thein, Theine, Tri-Aqua, Vivarin
• Brand: TRC
• Description: Impurity Pentoxifylline EP Impurity FApplications Caffeine (Pentoxifylline EP Impurity F) is a bitter, white crystalline xanthine alkaloid that acts as a stimulant drug and a reversible acetylcholinesterase inhibitor (1,2,3). Caffeine is found in varying quantities in the seeds, leaves, and fruit of some plants, where it acts as a natural pesticide that paralyzes and kills certain insects feeding on the plants. In humans, caffeine acts as a central nervous system stimulant, temporarily warding off drowsiness and restoring alertness. Caffeine is a cardiac and respiratory stimulant; diuretic. Caffeine is toxic at sufficiently high doses. Caffeine is a non-competitive inhibitor of acetylcholinesterase (3).This compound is a contaminant of emerging concern (CECs). Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the packageReferences (1) Denoeud, F., et al.: Science. 345, 1181 (2014) (2) Cherrah, Y., et al.: Biochem. Pharmacol., 37, 1311 (1988) (3) Pohanka, M. and Dobes, P. Int J Mol Sci. 14, 9873 (2013)

Chemical properties

• Molecular weight: 194.19
• Formula: C₈H₁₀N₄O₂
• Color/Form: White
• InChI: InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
• InChI key: InChIKey=RYYVLZVUVIJVGH-UHFFFAOYSA-N
• SMILES: Cn1c(=O)c2c(ncn2C)n(C)c1=O