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:O=C1NC(=O)N(C=2N=CN(C12)C)C

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
Sc 15090
Teobromin
Teobromina
Theobromin
Theobromine
Theobromine (3,7-Dimexanthine)
Theosalvose
Theostene
Thesal
1H-purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-
83-67-0
201-494-2
5-26-13-00553 (Beilstein Handbook Reference)
1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-
3,7-Dimethyl-xanthine

Found 18 products.

Product data	Purity	Price range	Estimated delivery
Theobromine REF: 3B-T0178CAS: 83-67-0	>98.0%(T)(HPLC)	48.00 €~344.00 €	Mon 21 Apr 25
Theobromine, 99% REF: 02-A11861CAS: 83-67-0	99%	To inquire	Tue 22 Apr 25
Theobromine REF: 11-0678CAS: 83-67-0	(HPLC) ≥95%	58.00 €	Mon 21 Apr 25
Caffeine Related Compound D (3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione) REF: 45-1086064CAS: 83-67-0	- - -	818.00 €	Fri 25 Apr 25
Theobromine REF: IN-DA008ILSCAS: 83-67-0	98%	26.00 €~202.00 €	Mon 28 Apr 25
Theophylline-Ethylenediamine EP Impurity G (Pentoxifylline EP Impurity A, Caffeine EP Impurity D, Caffeine USP Related Compound D, Theobromine) REF: 4Z-T-6022CAS: 83-67-0	- - -	To inquire	Tue 29 Apr 25
Theobromine REF: 54-BUP18690CAS: 83-67-0	99%	52.00 €~71.00 €	Tue 29 Apr 25
Theobromine REF: 7W-GE3548CAS: 83-67-0	≥ 98.0%	To inquire	Tue 29 Apr 25
Theobromine, EP grade REF: 7W-GE9853CAS: 83-67-0	99.0 - 101.0 % (dried substance)	To inquire	Tue 29 Apr 25
Theobromine REF: 86-MM0577.00CAS: 83-67-0	- - -	1,779.00 €	Tue 29 Apr 25
Theobromine REF: 04-C17445900CAS: 83-67-0	- - -	76.00 €	Tue 29 Apr 25
Theobromine, 99% REF: AC-25882CAS: 83-67-0	99%	106.00 €~593.00 €	Tue 29 Apr 25
Theobromine REF: BP-BP1389CAS: 83-67-0	95%~99%	48.00 €	Tue 29 Apr 25
Theobromine REF: 5G-89808CAS: 83-67-0	≥ 98.0 % (HPLC)	70.00 €~1,156.00 €	Mon 05 May 25
Theobromine REF: TR-T343800CAS: 83-67-0	- - -	101.00 €~145.00 €	Tue 06 May 25
Theobromine REF: 10-F787637CAS: 83-67-0	98+%	To inquire	Tue 06 May 25
Theobromine REF: TM-T0625CAS: 83-67-0	99.63% - 99.89%	35.00 €~54.00 €	Tue 06 May 25
Theobromine REF: 3D-FT33795CAS: 83-67-0	Min. 95%	181.00 €~2,286.00 €	Wed 07 May 25