CAS 81281-47-2

1-amino-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Description:

1-Amino-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione, commonly known as theobromine, is a methylxanthine compound with notable pharmacological properties. It is a white, crystalline solid that is soluble in water and exhibits a bitter taste. The substance is primarily found in cacao beans and is a key component of chocolate. Theobromine acts as a mild stimulant, similar to caffeine, and has vasodilatory, diuretic, and cardiotonic effects. Its molecular structure features a purine ring with two methyl groups at the 3 and 7 positions and an amino group at the 1 position, contributing to its biological activity. Theobromine is metabolized in the liver and has a half-life that varies among individuals, influenced by factors such as age and liver function. It is often studied for its potential health benefits, including its role in cardiovascular health and mood enhancement, although excessive consumption can lead to adverse effects. Overall, theobromine is an important compound in both food science and pharmacology.

Formula: C₇H₉N₅O₂

InChI: InChI=1/C7H9N5O2/c1-10-3-9-5-4(10)6(13)12(8)7(14)11(5)2/h3H,8H2,1-2H3

SMILES: Cn1cnc2c1c(=O)n(c(=O)n2C)N

5-Amino-3,7-dimethylxanthine

Controlled Product

CAS: 81281-47-2

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Formula: C₇H₉N₅O₂

Purity: Min. 95%

Molecular weight: 195.18 g/mol

Ref: 3D-FA17507