Dotinurad Impurity 259 CAS CATO-C4X-2494259
| CAS No. | CATO-C4X-2494259 |
| Molecular Formula | C21H13Cl4NO4S |
| Molecular Weight | 517.21 g/mol |
| Category | Pharmacopoeial Impurity Standards / EP Impurities |
| Availability | In Stock |
Chemical Structure
Description
Structurally, Dotinurad Impurity 259 (C21H13Cl4NO4S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 517.21 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
As a process- or degradation-related impurity, Dotinurad Impurity 259 (CAS CATO-C4X-2494259, C21H13Cl4NO4S) is essential for impurity profiling, related-substances testing, and forced-degradation studies in pharmaceutical development.
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.
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.
Physical & Chemical Properties
| Molecular Formula | C21H13Cl4NO4S |
| Molecular Weight | 517.21 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Dotinurad Standards
- Dotinurad Impurity 260 (CAS CATO-C4X-2494260)
- Dotinurad Impurity 153 (CAS CATO-C4X-2494153)
- Dotinurad impurity 112 (CAS CATO-C4X-2494112)
- Dotinurad Impurity 83 (CAS CATO-C4X-249483)
- Dotinurad Impurity 33 (CAS CATO-C4X-249433)
- Dotinurad Impurity 22 (CAS CATO-C4X-249422)
- Dotinurad Impurity 148 (CAS CATO-C4X-2494148)
- Dotinurad Impurity 19 (CAS CATO-C4X-249419)
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