Aprepitant Impurity 77 CAS CATO-C4X-114177
| CAS No. | CATO-C4X-114177 |
| Molecular Formula | C21H19F6NO3 |
| Molecular Weight | 447.37 g/mol |
| Category | Pharmacopoeial Impurity Standards / EP Impurities |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 447.37 g/mol gives Aprepitant Impurity 77 distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
As a process- or degradation-related impurity, Aprepitant Impurity 77 (CAS CATO-C4X-114177, C21H19F6NO3) is essential for impurity profiling, related-substances testing, and forced-degradation studies in pharmaceutical development.
Based on its molecular formula C21H19F6NO3, Aprepitant Impurity 77 contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 447.37 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).
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 | C21H19F6NO3 |
| Molecular Weight | 447.37 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | ≥95% |
| Storage | Store at room temperature, 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Aprepitant Standards
- Aprepitant Impurity 23 (CAS 287930-75-0)
- Aprepitant Impurity 24 (CAS 327623-36-9)
- Aprepitant Impurity 25 (CAS CATO-C4X-114125)
- Aprepitant Impurity 26 (CAS CATO-C4X-114126)
- Aprepitant Impurity 78 (CAS CATO-C4X-114178)
- Aprepitant-M3 Metabolite (CAS 419574-04-2)
- Aprepitant impurity 53 (CAS 502537-39-5)
- Aprepitant impurity 34 (CAS CATO-C4X-237934)
Recommended Standards
- Fosaprepitant Impurity 16 (CAS 327623-34-7)
- Fosaprepitant Impurity 49（Racemate） (CAS CATO-C4X-116849)
- Fosaprepitant Impurity 59 (CAS CATO-C4X-116859)
- tert-Butyl 4-((6-bromopyridin-2-yl)(phenyl)methoxy)piperidine-1-carboxylate (CAS 2007908-37-2)
- Methylprednisolone impurity 97 (CAS CATO-C4X-191997)
- Mabuterol Impurity 1 (CAS CATO-C4X-14541)
- Roxadustat impurity (CAS CATO-C4X-2213113)
- Methylamine-¹³C (CAS 106448-86-6)
- Hexamethylenetetramine, Compound With Allyl Iodide (CAS 36895-62-2)
- 4-Iodo-5,6-dimethyl-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-benzo[d]imidazole (CAS 2411789-58-5)
- Adamantane (CAS 281-23-2)
- 5-Methoxy-1-((pyridin-2-ylmethyl)thio)isoquinoline (CAS 1203356-19-7)
- 1, 3, 5(10)-ESTRATRIEN-3, 15β, 17β-TRIOL (CAS 7445-96-7)
- Semaglutide impurity 273 (CAS CATO-C4X-2226273)
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