Isavuconazole Impurity 88 CAS 21661-87-0
| CAS No. | 21661-87-0 |
| Molecular Formula | C9H5Br2NO |
| Molecular Weight | 302.95 g/mol |
| Category | Pharmacopoeial Impurity Standards / EP Impurities |
| Availability | In Stock |
Chemical Structure
Description
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.
As a process- or degradation-related impurity, Isavuconazole Impurity 88 (CAS 21661-87-0, C9H5Br2NO) is essential for impurity profiling, related-substances testing, and forced-degradation studies in pharmaceutical development.
Structurally, Isavuconazole Impurity 88 (C9H5Br2NO) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 302.95 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C9H5Br2NO |
| Molecular Weight | 302.95 g/mol |
| Appearance | Off-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 |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1963 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
Related Isavuconazole Standards
- Isavuconazole Impurity 154 (CAS CATO-C4X-1236154)
- Isavuconazole Impurity 78 (CAS 483340-19-8)
- Isavuconazole Impurity 33 (CAS 1180002-01-0)
- Isavuconazole Impurity 47 (CAS CATO-C4X-123647)
- Isavuconazole Impurity 151 (CAS CATO-C4X-1236151)
- Isavuconazole Impurity 160 (CAS CATO-C4X-1236160)
- Isavuconazole Impurity 161 (CAS CATO-C4X-1236161)
- Isavuconazole Impurity 45 (CAS 219872-85-2)
Recommended Standards
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