Upadacitinib Impurity 91 CAS CATO-C4X-240591
| CAS No. | CATO-C4X-240591 |
| Molecular Formula | C15H11N3O2S |
| Molecular Weight | 297.33 g/mol |
| Category | Pharmacopoeial Impurity Standards / EP Impurities |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C15H11N3O2S, Upadacitinib Impurity 91 contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 297.33 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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).
As a process- or degradation-related impurity, Upadacitinib Impurity 91 (CAS CATO-C4X-240591, C15H11N3O2S) 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 | C15H11N3O2S |
| Molecular Weight | 297.33 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Upadacitinib Standards
- Upadacitinib Impurity 107 (CAS CATO-C4X-2405107)
- Upadacitinib Impurity 212 (CAS CATO-C4X-2405212)
- Upadacitinib Impurity 208 (CAS CATO-C4X-2405208)
- Upadacitinib Impurity 27 (CAS CATO-C4X-240527)
- Upadacitinib Impurity 105 (CAS CATO-C4X-2405105)
- Upadacitinib Impurity 183 (CAS 2500633-42-9)
- Upadacitinib Impurity 74 (CAS 2650489-63-5)
- Upadacitinib Impurity 147 (CAS CATO-C4X-2405147)
Recommended Standards
- Piroxicam Impurity 20 (CAS CATO-C4X-173320)
- (S)-Ethyl 4,4-difluoro-1-((r)-1-phenylethyl)piperidine-2-carboxylate (CAS 1072344-63-8)
- Piroxicam EP Impurity L(Meloxicam EP Impurity F) (CAS 118854-48-1)
- Tert-butyl 3-fluoro-4-((methylsulfonyl)oxy)piperidine-1-carboxylate (CAS 1207176-25-7)
- Methotrexate EP Impurity E (CAS 19741-14-1)
- Anlotinib Impurity 5 (CAS CATO-C4X-32835)
- Ertapenem Impurity 66 (CAS CATO-C4X-163366)
- 10,10-Difluoro-2,7-diazaspiro[4.5]Decan-1-one hydrochloride (CAS 1228631-43-3)
- 4-Methyl-1-(2-(tetrahydrofuran-2-yl)ethyl)-1h-pyrazol-3-amine (CAS 1489083-42-2)
- 2-(3-(Benzyloxy)phenyl)-2-cyclopropylacetaldehyde (CAS 2358238-54-5)
- 4-Bromo-3-(difluoromethyl)-5-iodopyridin-2-amine (CAS 1806801-69-3)
- Relaxin H2 (human) (H-6784.1000) (CAS 99489-94-8)
- Adrenaline Impurity 23 (CAS 1894824-44-2)
- Galanin-Like Peptide (human) trifluoroacetate salt (CAS 245114-99-2)
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