CAS 1012-82-4
:3,7-Dihydro-7-hydroxy-1,3-dimethyl-1H-purine-2,6-dione
Description:
3,7-Dihydro-7-hydroxy-1,3-dimethyl-1H-purine-2,6-dione, commonly known as theobromine, is a naturally occurring alkaloid found in cacao beans and tea leaves. It is a member of the methylxanthine class, which also includes caffeine and theophylline. Theobromine is characterized by its white crystalline solid form and has a slightly bitter taste. It is soluble in water and exhibits a melting point that varies depending on purity. The compound has stimulant properties, primarily affecting the central nervous system, and is known for its mild diuretic effects. Theobromine acts as a vasodilator, which can lead to increased blood flow and lower blood pressure. Additionally, it has been studied for its potential health benefits, including antioxidant properties and effects on mood enhancement. However, it is important to note that theobromine can be toxic to certain animals, such as dogs, due to their slower metabolism of the compound. Overall, theobromine plays a significant role in both food chemistry and pharmacology.
Formula:C7H8N4O3
InChI:InChI=1S/C7H8N4O3/c1-9-5-4(11(14)3-8-5)6(12)10(2)7(9)13/h3,14H,1-2H3
InChI key:InChIKey=OAJZHQGFGXPEPA-UHFFFAOYSA-N
SMILES:O=C1C2=C(N(C)C(=O)N1C)N=CN2O
Synonyms:- Theophylline, 7-hydroxy-
- 1H-Purine-2,6-dione, 3,7-dihydro-7-hydroxy-1,3-dimethyl-
- 7-Hydroxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
- 3,7-Dihydro-7-hydroxy-1,3-dimethyl-1H-purine-2,6-dione
- 7-Hydroxytheophylline
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