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Theobromine

Catalog No. DB01412 Name DrugBank
CAS Number 83-67-0 Website http://www.ualberta.ca/
M. F. C7H8N4O2 Telephone (780) 492-3111
M. W. 180.16402 Fax (780) 492-1071
Purity Email david.wishart@ualberta.ca
Storage Chembase ID: 1221

SYNONYMS

IUPAC name
3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
IUPAC Traditional name
theobromine

DATABASE IDS

PubChem CID 5429
PubChem SID 46508574
CAS Number 83-67-0

PROPERTIES

Hydrophobicity(logP) -0.78 [HANSCH,C ET AL. (1995)]
Solubility 0.33 mg/mL at 25 oC [YALKOWSKY,SH & HE,Y (2003)]

DETAILS

Description (English)
Item Information
Drug Groups approved
Description 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)
Indication theobromine is used as a vasodilator, a diuretic, and heart stimulant. And similar to caffeine, it may be useful in management of fatigue and orthostatic hypotension.
Pharmacology Theobromine, a xanthine derivative like caffeine and the bronchodilator theophylline, is used as a CNS stimulant, mild diuretic, and respiratory stimulant (in neonates with apnea of prematurity).
References
Usmani OS, Belvisi MG, Patel HJ, Crispino N, Birrell MA, Korbonits M, Korbonits D, Barnes PJ: Theobromine inhibits sensory nerve activation and cough. FASEB J. 2005 Feb;19(2):231-3. Epub 2004 Nov 17. [Pubmed]
Slattery ML, West DW: Smoking, alcohol, coffee, tea, caffeine, and theobromine: risk of prostate cancer in Utah (United States). Cancer Causes Control. 1993 Nov;4(6):559-63. [Pubmed]
External Links
Wikipedia

REFERENCES

  • Usmani OS, Belvisi MG, Patel HJ, Crispino N, Birrell MA, Korbonits M, Korbonits D, Barnes PJ: Theobromine inhibits sensory nerve activation and cough. FASEB J. 2005 Feb;19(2):231-3. Epub 2004 Nov 17. Pubmed
  • Slattery ML, West DW: Smoking, alcohol, coffee, tea, caffeine, and theobromine: risk of prostate cancer in Utah (United States). Cancer Causes Control. 1993 Nov;4(6):559-63. Pubmed