Caffeine-13C3（Cat No.:R034987） is an isotopically labeled version of caffeine, where three of its carbon atoms are enriched with carbon-13 (13C). This isotopic modification enhances its detectability and quantification in scientific studies, particularly using techniques like mass spectrometry and NMR spectroscopy. Caffeine is a widely consumed stimulant found in coffee, tea, and various energy drinks. The 13C-labeled caffeine allows researchers to study its metabolism, absorption, and distribution within the body more accurately, providing insights into its pharmacological effects and interactions with other substances in human health and performance studies.
| Catalog Number | R034987 |
| CAS Number | 78072-66-9 |
| Synonyms | 3,7-Dihydro-1,3,7-tri(methyl-13C)-1H-purine-2,6-dione; 1,4,6-Trimethyl-1H-imidazo[4,5-b]pyridine-5,7(4H,6H)-dione-13C3; 1,3,7-Trimethylxanthine-13C3; 7-Methyltheophylline-13C3; Alert-Pep-13C3; Cafalgine-13C3; Cafeina-13C3; Caffedrine-13C3; Caffein-13 |
| Molecular Formula | C8H10N4O2 |
| Purity | 95% |
| Storage | Store at -20°C |
| IUPAC Name | 1,3,7-tri((113C)methyl)purine-2,6-dione |
| InChI | InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3/i1+1,2+1,3+1 |
| InChIKey | RYYVLZVUVIJVGH-VMIGTVKRSA-N |
| SMILES | [13CH3]N1C=NC2=C1C(=O)N(C(=O)N2[13CH3])[13CH3] |
