Parecoxib Impurity 31 CAS CATO-C4X-159131
| CAS No. | CATO-C4X-159131 |
| Molecular Formula | C16H12ClNO3S |
| Molecular Weight | 333.79 g/mol |
| Category | Pharmacopoeial Impurity Standards / EP Impurities |
| Availability | In Stock |
Chemical Structure
Description
As a process- or degradation-related impurity, Parecoxib Impurity 31 (CAS CATO-C4X-159131, C16H12ClNO3S) is essential for impurity profiling, related-substances testing, and forced-degradation studies in pharmaceutical development.
Parecoxib Impurity 31 (C16H12ClNO3S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C16H12ClNO3S |
| Molecular Weight | 333.79 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Parecoxib Standards
- Parecoxib Impurity 23 (CAS 509074-26-4)
- Parecoxib (CAS 1709956-95-5)
- Parecoxib Impurity 30 (CAS 1373038-57-3)
- Parecoxib sodium Impurity 7 (CAS 501093-49-8)
- Parecoxib Impurity 24 (CAS 2749361-92-8)
- Parecoxib Impurity 25 (CAS 1884279-18-8)
- Parecoxib Impurity 59 (CAS CATO-C4X-159159)
- Parecoxib Impurity 5 (CAS CATO-C4X-15915)
Recommended Standards
- Dotinurad Impurity 178 (CAS CATO-C4X-2494178)
- Dotinurad Impurity 218 (CAS CATO-C4X-2494218)
- 4-(5-(Chloromethyl)-1,2,4-oxadiazol-3-yl)-N-cyclohexyl-N-methylbenzamide (CAS 1119449-62-5)
- 424789-76-4 1-[1-(Benzenesulfonyl)-1H-indol-3-yl]-2-chloroethan-1-one DTXSID00573825 (CAS 424789-76-4)
- Parecoxib sodium Impurity 9 (CAS 1373038-56-2)
- Oxcarbazepine EP Impurity A (Carbamazepine) (CAS 298-46-4)
- Dotinurad Impurity 132 (CAS CATO-C4X-2494132)
- 2-(5-Fluoro-2-methyl-1H-inden-3-yl)acetonitrile (CAS 1935539-76-6)
- Ibuprofen EP Impurity A (CAS CATO-C4X-1082147)
- Ethyl 4-amino-3-(2,5-dimethoxyphenyl)-2-thioxo-2,3-dihydrothiazole-5-carboxylate (CAS 312922-23-9)
- 4-[6-(Methoxymethyl)-2-phenylpyrimidin-4-yl]morpholine (CAS 339278-90-9)
- 5-Bromo-2-(4-ethylpiperazin-1-yl)pyrimidine (CAS 950410-05-6)
- 2-Chloro-1,3,5-trifluorobenzene (CAS 2106-40-3)
- Tirzepatide Impurity 33 (CAS CATO-C4X-324033)
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