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Theobromine

CHEBI:CHEBI_28946

Definition

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.

Chemical Information

Molecular Formula
C7H8N4O2
Molecular Mass
180.16418
Charge
0
SMILES
Cn1cnc2n(C)c(=O)[nH]c(=O)c12
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)
InChIKey
YAPQBXQYLJRXSA-UHFFFAOYSA-N

Alternative Names

  • 3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione
  • 3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
  • 3,7-dimethylpurine-2,6-dione
  • 3,7-dimethylxanthine
  • 3,7-Dimethylxanthine
  • Theobromin
  • theobromine
  • Theobromine
  • THEOBROMINE

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

oboInOwl#hasDbXref
Wikipedia:Theobromine
DRON_00010000
10437
core#notation
CHEBI:28946

Additional References

Wikipedia:Theobromine

🔍 Click on any linked disease name to learn more about the conditions this medication is used to treat, or explore related drug classifications for more information about similar medications.

Additional Attributes

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10437
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CHEBI:28946
core#notation
CHEBI:28946
RO_0000087
http://purl.obolibrary.org/obo/CHEBI_71232
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http://www.w3.org/2002/07/owl#Class
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