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Theobromine

SIGMA/T4500 - ≥98.0%

Synonym: 2,6-Dihydroxy-3,7-dimethylpurine; 3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione; 3,7-Dimethylxanthine

CAS Number: 83-67-0
Empirical Formula (Hill Notation): C7H8N4O2
Molecular Weight: 180.16
EC Number: 201-494-2
MDL Number: MFCD00022830
Linear Formula: C7H8N4O2
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-T4500-25G 25 g
 $47.10
1/EA		 Add To Favorites
45-T4500-100G 100 g
 $100.00
1/EA		 Add To Favorites

 

assay ≥98.0%
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 YAPQBXQYLJRXSA-UHFFFAOYSA-N
mp 345-350 °C
Quality Level 200 
SMILES string [H]N1C(N(C)C2=C(N(C)C=N2)C1=O)=O
solubility aqueous base: moderately soluble
  ethanol: slightly soluble
  H2O: slightly soluble
Application: Theobromine has been used:
• to test in behavioural assay
• as a food or dietary supplement
• as a standard for theobromine quantification in brewed coffee samples
Biochem/physiol Actions: Phosphosdiesterase inhibitor; weak adenosine receptor antagonist; diuretic; smooth muscle relaxant.
Biochem/physiol Actions: Theobromine possesses antitussive action and might be useful in treating acute and chronic cough. It is a catabolic product of caffeine and shows antioxidant and prooxidant properties.
Features and Benefits: This compound is a featured product for Cyclic Nucleotide research. Click here  to discover more featured Cyclic Nucleotide products. Learn more about bioactive small molecules for other areas of research at sigma.com/discover-bsm .
General description: Theobromine is a methylxanthine alkaloid derivative, highly present in cocoa.
Packaging: 25 g in poly bottle
Preparation Note: Theobromine is moderately soluble in aqueous base and is slightly soluble in water and ethanol.
Purity ≥98.0%
mp 345-350 °C
UNSPSC 41106305

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