Chemicals and Drugs

Theobromine

3,7-Dimethylxanthine. The principle alkaloid in Theobroma cacao (the cacao bean) and other plants. A xanthine alkaloid that is used as a bronchodilator and as a vasodilator. It has a weaker diuretic activity than THEOPHYLLINE and is also a less powerful stimulant of smooth muscle. It has practically no stimulant effect on the central nervous system. It was formerly used as a diuretic and in the treatment of angina pectoris and hypertension. (From Martindale, The Extra Pharmacopoeia, 30th ed, pp1318-9)

National Library of MedicineMedical Subject Headings2026

Structured Summary

Abstract

3,7-Dimethylxanthine. The principle alkaloid in Theobroma cacao (the cacao bean) and other plants. A xanthine alkaloid that is used as a bronchodilator and as a vasodilator. It has a weaker diuretic activity than THEOPHYLLINE and is also a less powerful stimulant of smooth muscle. It has practically no stimulant effect on the central nervous system. It was formerly used as a diuretic and in the treatment of angina pectoris and hypertension. (From Martindale, The Extra Pharmacopoeia, 30th ed, pp1318-9)

Chemical Identity

Chemical Information

Molecular Formula
C7H8N4O2
Molecular Weight
180.16 g/mol
CAS Registry No.
83-67-0
IUPAC Name
3,7-dimethylpurine-2,6-dione
InChIKey
YAPQBXQYLJRXSA-UHFFFAOYSA-N
SMILES
CN1C=NC2=C1C(=O)NC(=O)N2C
MeSH Unique ID
D013805
Source
PubChem CID 5429

MeSH Record

Classification

Broader headings

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Drug Class

Pharmacological Action

MeSH Record

Aspects Covered

29 allowable subheadings

Indexed with the subheadings administration & dosage, adverse effects, agonists, analogs & derivatives, analysis, antagonists & inhibitors, biosynthesis, blood, cerebrospinal fluid, chemical synthesis, chemistry, classification, deficiency, economics, genetics, history, immunology, isolation & purification, metabolism, pharmacokinetics, pharmacology, physiology, poisoning, radiation effects, standards, supply & distribution, therapeutic use, toxicity, urine.

MeSH Record

Indexing Annotation

a bronchodilator & vasodilator alkaloid

MeSH Hierarchy

Tree Numbers

  1. D03w.132w.960.651w
  2. D03w.633.100.759.758w.824.651w

MeSH Record

NLM Classification

QV 107

AMA Style

References

  1. National Library of Medicine. Theobromine. Medical Subject Headings (MeSH). 2026. Unique ID D013805. http://id.nlm.nih.gov/mesh/2026/D013805
  2. Theobromine. In: Wikipedia. https://en.wikipedia.org/wiki/Theobromine
  3. Theobromine. In: Wikidata. https://www.wikidata.org/wiki/Q206844
  4. Theobromine. In: PubChem Compound. CID 5429. https://pubchem.ncbi.nlm.nih.gov/compound/5429