CymitQuimica logo

CAS 83-67-0

:

Theobromine

Description:
Theobromine is a naturally occurring alkaloid primarily found in cacao beans, tea leaves, and certain other plants. It is classified as a methylxanthine, which is a group of compounds that also includes caffeine and theophylline. Theobromine has a molecular formula of C7H8N4O2 and a molecular weight of approximately 180.17 g/mol. It is a white, odorless crystalline powder that is slightly soluble in water but more soluble in organic solvents. Theobromine exhibits mild stimulant properties, primarily affecting the central nervous system, and has been shown to have vasodilatory effects, which can lead to increased blood flow. Additionally, it has diuretic properties and may contribute to the relaxation of smooth muscles. While theobromine is generally safe for human consumption in moderate amounts, it can be toxic to certain animals, particularly dogs and cats, due to their slower metabolism of the compound. Its presence in chocolate products is often associated with the pleasurable effects of consuming chocolate.
Formula:C7H8N4O2
InChI:InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)
InChI key:InChIKey=YAPQBXQYLJRXSA-UHFFFAOYSA-N
SMILES:CN1C2=C(C(=O)NC1=O)N(C)C=N2
Synonyms:
  • 3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione
  • 3,7-Dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
  • 3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione
  • 3,7-Dimethyl-3,7-dihydro-purine-2,6-dione
  • 3,7-Dimethylpurine-2,6-dione
  • 3,7-Dimethylxanthine
  • Diurobromine
  • Nsc 5039
  • Purine(1H)-2,6-Dione, 3,7-Dihydro-3,7-Dimethyl-
  • Santheose
  • See more synonyms
products per page.Found 30 products.