Theophylline Impurity 3 CAS 60797-68-4
| CAS No. | 60797-68-4 |
| Molecular Formula | C7H10N4O3 |
| Molecular Weight | 198.18 g/mol |
| Category | Pharmacopoeial Impurity Standards / EP Impurities |
| Availability | In Stock |
Chemical Structure
Description
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
As a process- or degradation-related impurity, Theophylline Impurity 3 (CAS 60797-68-4, C7H10N4O3) is essential for impurity profiling, related-substances testing, and forced-degradation studies in pharmaceutical development.
Structurally, Theophylline Impurity 3 (C7H10N4O3) contains an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 198.18 g/mol, it falls into the medium-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
Recommended for quantitative analysis by HPLC, GC, LC-MS/MS, or GC-MS as an external calibration standard; it can also be used for spiked-recovery experiments, LOD/LOQ determination, and LC-MS/MS multiple-reaction-monitoring (MRM) calibration.
Physical & Chemical Properties
| Molecular Formula | C7H10N4O3 |
| Molecular Weight | 198.18 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO, water |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1974 |
| Nitrogen Atoms | 4 |
Related Theophylline Standards
- Theophylline EP Impurity C (CAS 7597-60-6)
- Theophylline EP Impurity E (CAS 944-73-0)
- Theophylline Impurity 10 (CAS CATO-C4X-182310)
- Theophylline Impurity 4 (CAS CATO-C4X-18234)
- Theophylline impurity 6 (CAS CATO-C4X-18236)
- Theophylline-d6 (CAS 117490-39-8)
- Theophylline Impurity 12 (CAS CATO-C4X-182312)
- Theophylline Impurity 14 (CAS CATO-C4X-182314)
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