Upadacitinib Impurity 178 Formate CAS CATO-C4X-2405178
| CAS No. | CATO-C4X-2405178 |
| Molecular Formula | C6H6F3N3O |
| Molecular Weight | N/A |
| Category | Pharmacopoeial Impurity Standards / EP Impurities |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies Upadacitinib Impurity 178 Formate (CAS CATO-C4X-2405178), a pharmacopoeial impurity reference standard (molecular formula C6H6F3N3OCH2O2, MW 239.15 g/mol) used for the identification and quantification of trace impurities in APIs.
Structurally, Upadacitinib Impurity 178 Formate (C6H6F3N3OCH2O2) contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 239.15 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).
This reference standard supports related-substances testing and method development in line with ICH Q3A/Q3B guidance on impurity control, and is suitable for system suitability testing and forced-degradation studies.
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 | C6H6F3N3O CH2O2 |
| Molecular Weight | 239.15 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| Purity | >90% |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
Related Upadacitinib Standards
- Upadacitinib Impurity 53 (CAS 1046861-47-5)
- Upadacitinib Impurity 218 (CAS 117718-83-9)
- Upadacitinib Impurity 17 (CAS 1201186-54-0)
- Upadacitinib Impurity 15 (CAS 1201187-44-1)
- Upadacitinib Impurity 2 (CAS 1201187-46-3)
- Upadacitinib Impurity 28 (CAS 1310726-59-0)
- Upadacitinib (CAS 1310726-60-3)
- Upadacitinib Impurity 18 (CAS 1428243-24-6)
Recommended Standards
- Terlipressin Impurity 25 X TFA Salt (CAS CATO-C4X-219325)
- Rocuronium Impurity 49 (CAS CATO-C4X-124249)
- Erythromycin impurity 75 (CAS 15797-36-1)
- 6-Acetyl-8-fluoro-2H-benzo[b][1,4]oxazin-3(4H)-one (CAS 943994-30-7)
- 1-Phenyl-3-(2-(piperazin-1-yl)ethoxy)isoquinoline (CAS 89707-38-0)
- Methyl 1-(4-aminophenyl)-1h-pyrazole-3-carboxylate (CAS 1305826-81-6)
- Furan-2-yl(pyridin-2-yl)methanamine (CAS 95898-98-9)
- 5-(4-Hydroxy-3-methoxyphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 122772-15-0)
- 2-Bromo-4-fluoro-N-((3-methylthiophen-2-yl)methyl)benzamide (CAS 1211670-13-1)
- Semaglutide impurity 29 (CAS CATO-C4X-222629)
Why CATO?
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