Theophylline-13C2,d6（Cat No.:R017450）, a deuterated and carbon-13 labeled variant of theophylline, is an indispensable tool for pharmacokinetic and metabolic studies of this bronchodilator. With two carbon-13 atoms and six deuterium atoms, it offers high analytical precision in mass spectrometry, aiding in the detection and quantification of drug metabolism and absorption rates. This compound is particularly useful in respiratory medicine research, helping to elucidate theophylline’s mechanism of action and optimize therapeutic regimens. Theophylline-13C2,d6 is crucial for developing more effective treatments for asthma and chronic obstructive pulmonary disease (COPD).
| Catalog Number | R017450 |
| CAS Number | 1782458-84-7 |
| Synonyms | 3,9-Dihydro-1,3-dimethyl-1H-purine-2,6-dione-13C2d6; 3,7-Dihydro-1,3-dimethyl- 1H-purine-2,6-dione-13C2d6; 1,3-Dimethylxanthine-13C2d6; Accurbron-13C2d6; Aerobin-13C2d6; Armophylline-13C2d6; Asmax-13C2d6; Bronkodyl-13C2d6; Theophyl-13C2d6; Theoplus-1 |
| Molecular Formula | C7H8N4O2 |
| Purity | 95% |
| Storage | -20°C |
| IUPAC Name | 1,3-bis(trideuterio(113C)methyl)-7H-purine-2,6-dione |
| InChI | InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)/i1+1D3,2+1D3 |
| InChIKey | ZFXYFBGIUFBOJW-KLFIIISESA-N |
| SMILES | [2H][13C]([2H])([2H])N1C2=C(C(=O)N(C1=O)[13C]([2H])([2H])[2H])NC=N2 |
