Products 58-08-2

CAS 58-08-2 appears in our catalog under these names: Caffeine, 98%, Caffeine (Theophylline EP Impurity A), Dimenhydrinate Impurity 3 (Dimenhydrinate EP Impurity C), Caffeine, Pentoxifylline Impurity 6(Pentoxifylline EP Impurity F). Offered by: Combi-blocks, Chemat Brand, Hubei YoungXin, TRC, Mikromol. Available pack sizes: 100g, 500g, 1kg, 5g, 25g, on request, 10mg, 25mg.

Structural formula: {0} (CAS {1})

Caffeine is a trimethylxanthine in which the three methyl groups are located at positions 1, 3, and 7. A purine alkaloid that occurs naturally in tea and coffee. It has a role as a geroprotector, a mutagen, a central nervous system stimulant, a psychotropic drug, a diuretic, a xenobiotic, an EC 3.1.4.* (phosphoric diester hydrolase) inhibitor, an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor, an adenosine A2A receptor antagonist, an adjuvant, a food additive, a ryanodine receptor agonist, an adenosine receptor antagonist, a mouse metabolite, a plant metabolite, a fungal metabolite, an environmental contaminant and a human blood serum metabolite. It is a purine alkaloid and a trimethylxanthine.

Source: ChEBI

Identity
Molecular formulaC8H10N4O2
Molecular weight194.19 g/mol
IUPAC name1,3,7-trimethylpurine-2,6-dione
InChIKeyRYYVLZVUVIJVGH-UHFFFAOYSA-N
SMILESCN1C=NC2=C1C(=O)N(C(=O)N2C)C

Computed by PubChem (NCBI)