Theobromine

cas: 83-67-0 — see every product listed under this CAS number, including other names

Theobromine (CAS 83-67-0) is a chemical reagent available from Chemat. Available pack sizes: 500mg, 10mg, 100mg, 20mg, 500g, 250g, 1000g, 2000g. Offered by: Mikromol, LoGiCal, Dr. Ehrenstorfer, GLPBio.

brandMikromol
catalog numberMM0577.00
cas83-67-0
size500mg
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Available pack sizes

brand size price
Mikromol 500mg price on request
LoGiCal 10mg price on request
Dr. Ehrenstorfer 100mg price on request
GLPBio 20mg 863.83 Pln
Biosynth 500g price on request
Biosynth 250g price on request
Biosynth 1000g price on request
Biosynth 2000g price on request
Biosynth 5000g price on request
Sigma-Aldrich 100MG 347.80 Pln
HPC Standards 1x100mg 332.30 Pln

properties

purityNo data
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

Theobromine is 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. It has a role as a bronchodilator agent, a vasodilator agent, an adenosine receptor antagonist, a mouse metabolite, a plant metabolite, a food component and a human blood serum metabolite.

Source: ChEBI

Identity
Molecular formulaC7H8N4O2
Molecular weight180.16 g/mol
IUPAC name3,7-dimethylpurine-2,6-dione
InChIKeyYAPQBXQYLJRXSA-UHFFFAOYSA-N
SMILESCN1C=NC2=C1C(=O)NC(=O)N2C

Computed by PubChem (NCBI)

Synonyms: theobromine, 3,7-Dimethylxanthine, Diurobromine, Theosalvose, Santheose, Teobromin, Theostene, 3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione, Thesal, 3,7-dimethylpurine-2,6-dione
Related forms of this compound
3,7-bis(trideuteriomethyl)purine-2,6-dione C7H8N4O2
3-methyl-7-(trideuteriomethyl)purine-2,6-dione C7H8N4O2
Isomers (same molecular formula)
3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5-dihydro-1H-pyridazin-6-one C7H8N4O2
1,7-dimethyl-3H-purine-2,6-dione C7H8N4O2
3-(2-methyl-4-nitroimidazol-1-yl)propanenitrile C7H8N4O2
1,3-dimethyl-7H-purine-2,6-dione C7H8N4O2
1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one C7H8N4O2
N-cyclopropyl-5-nitropyrimidin-2-amine C7H8N4O2
3,9-dimethylpurine-2,6-dione C7H8N4O2
2-(4-nitrophenyl)guanidine C7H8N4O2
1,3-dimethyl-6H-imidazo[4,5-d]pyridazine-2,7-dione C7H8N4O2
1,9-dimethyl-3H-purine-2,6-dione C7H8N4O2

Also listed as

Theophylline-Ethylenediamine EP Impurity G (Caffeine EP Impurity D, Theobromine) Chemat Brand CAS 83-67-0
Theobromine, >95% (HPLC) TRC CAS 83-67-0
Theobromine 0.1 mg/ml in Methanol LoGiCal CAS 83-67-0
Theobromine/ 99.89% (existing batch purity) TargetMol CAS 83-67-0
Theobromine, 99% Thermo Scientific (Alfa Aesar) CAS 83-67-0
Theobromine, 98.00% Chemat CAS 83-67-0
Theobromine, >98.0%(HPLC)(T) TCI CAS 83-67-0
Theobromine 98% Ambeed CAS 83-67-0
3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione, 98%, 98% Chemat CAS 83-67-0
Theobromine, 99.78% MedChemExpress CAS 83-67-0
Theobromine (Standard) MedChemExpress CAS 83-67-0
Theobromine, ROTICHROM® HPLC, 20 mg, glass Roth CAS 83-67-0
Theobromine, ROTICHROM® CHR, 10 g, plastic Roth CAS 83-67-0
Theobromine, ROTICHROM® CHR, 100 g, plastic Roth CAS 83-67-0
Theobromine, 98% Fluorochem CAS 83-67-0