Dacomitinib Impurity 49 CAS CATO-C4X-208649
| CAS No. | CATO-C4X-208649 |
| Molecular Formula | C39H37Cl2F2N9O3 |
| Molecular Weight | 788.67 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 788.67 g/mol gives Dacomitinib Impurity 49 distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Dacomitinib Impurity 49 (CAS CATO-C4X-208649) is a certified pharmaceutical impurity reference standard with the molecular formula C39H37Cl2F2N9O3 and a molecular weight of 788.67 g/mol.
Based on its molecular formula C39H37Cl2F2N9O3, Dacomitinib Impurity 49 contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 788.67 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C39H37Cl2F2N9O3 |
| Molecular Weight | 788.67 g/mol |
| Purity | ≥95% |
| Storage | Store in a cool place (≤25°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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 24.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 9 |
Related Dacomitinib Standards
- Dacomitinib Impurity 46 (CAS CATO-C4X-208646)
- Dacomitinib Impurity 19 (CAS CATO-C4X-208619)
- Dacomitinib Impurity 3 (CAS CATO-C4X-20863)
- Dacomitinib Impurity 6 (CAS CATO-C4X-20866)
- Dacomitinib Impurity 21 (CAS CATO-C4X-208621)
- Dacomitinib Impurity 20 (CAS CATO-C4X-208620)
- Dacomitinib Impurity 54 (CAS CATO-C4X-208654)
- Dacomitinib Impurity 42 (CAS CATO-C4X-208642)
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