Products 83-67-0

CAS 83-67-0 appears in our catalog under these names: Theophylline-Ethylenediamine EP Impurity G (Caffeine EP Impurity D, Theobromine), Theobromine, >95% (HPLC), Theobromine, Theobromine 0.1 mg/ml in Methanol, Theobromine/ 99.89% (existing batch purity). Offered by: Chemat Brand, TRC, Mikromol, LoGiCal, Dr. Ehrenstorfer. Available pack sizes: on request, 1g, 250mg, 5g, 500mg, 10mg, 100mg, 1ml.

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

Theobromine is a dimethylxanthine having the two methyl groups located at positions 3 and 7. A purine alkaloid derived from the cacao plant, it is found in chocolate, as well as in a number of other foods, and is a vasodilator, diuretic and heart stimulator. It has a role as a bronchodilator agent, a vasodilator agent, an adenosine receptor antagonist, a mouse metabolite, a plant metabolite, a food component and a human blood serum metabolite.

Source: ChEBI

Identity
Molecular formulaC7H8N4O2
Molecular weight180.16 g/mol
IUPAC name3,7-dimethylpurine-2,6-dione
InChIKeyYAPQBXQYLJRXSA-UHFFFAOYSA-N
SMILESCN1C=NC2=C1C(=O)NC(=O)N2C

Computed by PubChem (NCBI)