Vortioxetine Impurity 79 CAS 94718-79-3
| CAS No. | 94718-79-3 |
| Molecular Formula | C6H6BrN |
| Molecular Weight | N/A |
| Category | Pharmacopoeial Impurity Standards / EP Impurities |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including Vortioxetine Impurity 79.
As a process- or degradation-related impurity, Vortioxetine Impurity 79 (CAS 94718-79-3, C6H6BrNHCl) is essential for impurity profiling, related-substances testing, and forced-degradation studies in pharmaceutical development.
Based on its molecular formula C6H6BrNHCl, Vortioxetine Impurity 79 contains a nitrile group, chlorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 208.48 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 | C6H6BrN HCl |
| Molecular Weight | 208.48 g/mol |
| Appearance | White to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| Purity | >95% |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | Cl/Br-containing |
| Nitrogen Atoms | 1 |
Related Vortioxetine Standards
- Vortioxetine Impurity 63 (CAS 1009-85-4)
- Vortioxetine Impurity 2 (CAS 1011-13-8)
- Vortioxetine Impurity 89 (CAS 1019453-85-0)
- Vortioxetine Impurity 116 (CAS 102439-46-3)
- Vortioxetine Impurity 88 (CAS 103-19-5)
- Vortioxetine Impurity 60 (CAS 1049755-55-6)
- Vortioxetine Impurity 48 (CAS 105456-67-5)
- Vortioxetine Impurity 101 (CAS 107832-66-6)
Recommended Standards
- LCZ-696 Impurity 53 (CAS CATO-C4X-169653)
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