| CAS No. | CATO-C4X-2405222 |
| Molecular Formula | C8H14BrNO |
| Molecular Weight | 220.11 g/mol |
| Category | Pharmacopoeial Impurity Standards / EP Impurities |
| Availability | In Stock |
The occurrence of Upadacitinib Impurity 222 is closely related to an amide group, a hydroxyl group, an ether linkage, bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies Upadacitinib Impurity 222 (CAS CATO-C4X-2405222), a pharmacopoeial impurity reference standard (molecular formula C8H14BrNO, MW 220.11 g/mol) used for the identification and quantification of trace impurities in APIs.
Based on its molecular formula C8H14BrNO, Upadacitinib Impurity 222 contains an amide group, a hydroxyl group, an ether linkage, bromine substitution; these features give the compound characteristic functional-group stretching vibrations in infrared spectroscopy. The molecular weight of 220.11 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.
| Molecular Formula | C8H14BrNO |
| Molecular Weight | 220.11 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 2.0 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |