Brexpiprazole Impurity 63 HCl CAS CATO-C4X-113163
| CAS No. | CATO-C4X-113163 |
| Molecular Formula | C16H21ClN2S |
| Molecular Weight | N/A |
| Category | Pharmacopoeial Impurity Standards / EP Impurities |
| Availability | In Stock |
Chemical Structure
Description
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.
As a process- or degradation-related impurity, Brexpiprazole Impurity 63 HCl (CAS CATO-C4X-113163, C16H21ClN2SHCl) is essential for impurity profiling, related-substances testing, and forced-degradation studies in pharmaceutical development.
The molecular framework of Brexpiprazole Impurity 63 HCl (C16H21ClN2SHCl) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
Physical & Chemical Properties
| Molecular Formula | C16H21ClN2S HCl |
| Molecular Weight | 345.33 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Brexpiprazole Standards
- Brexpiprazole Impurity 53 (CAS 102-92-1)
- Brexpiprazole Impurity 41 (CAS 105684-85-3)
- Brexpiprazole Impurity 113 (CAS 105685-06-1)
- Brexpiprazole Impurity 28 (CAS 1191900-51-2)
- Brexpiprazole Impurity 10 (CAS 1191900-58-9)
- Brexpiprazole Impurity 56 (CAS 1191900-59-0)
- Brexpiprazole Impurity 133 (CAS 1268367-99-2)
- Brexpiprazole impurity 114 (CAS 131540-81-3)
Recommended Standards
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- 2-(2-Fluorophenoxy)-N-(furan-2-ylmethyl)-N-(2-(thiophen-2-yl)ethyl)acetamide (CAS 1396715-99-3)
- Tizanidine impurity 17 (CAS CATO-C4X-144517)
- Ceftaroline Impurity 12 (CAS 400827-68-1)
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- Octanoic acid, 8-isothiocyanato-, ethyl ester (CAS 111823-31-5)
- D-γ-Glu20-Side-Tirzepatide (CAS CATO-CPTD788929)
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