Bedaquiline impurity 42 CAS 90279-39-3
| CAS No. | 90279-39-3 |
| Molecular Formula | C9H6BrNO |
| Molecular Weight | 224.05 g/mol |
| 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 Bedaquiline impurity 42.
CATO supplies Bedaquiline impurity 42 (CAS 90279-39-3), a pharmacopoeial impurity reference standard (molecular formula C9H6BrNO, MW 224.05 g/mol) used for the identification and quantification of trace impurities in APIs.
Structurally, Bedaquiline impurity 42 (C9H6BrNO) 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 224.05 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
This reference standard supports related-substances testing and method development in line with ICH Q3A/Q3B guidance on impurity control, and is suitable for system suitability testing and forced-degradation studies.
As a certified reference material (CRM), Bedaquiline impurity 42 meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C9H6BrNO |
| Molecular Weight | 224.05 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| 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.) | 1982 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
Related Bedaquiline Standards
- Bedaquiline impurity 41 (CAS 860720-24-7)
- Bedaquiline Impurity 7 (CAS 2752-87-6)
- Bedaquiline impurity 40 (CAS 848694-09-7)
- Bedaquiline Impurity 67 (CAS 345949-37-3)
- Bedaquiline Impurity 16 (CAS CATO-C4X-116716)
- Bedaquiline Impurity 17 (CAS CATO-C4X-116717)
- Bedaquiline Impurity 68 (CAS 110486-69-6)
- Bedaquiline Impurity 9 (CAS 22422-69-1)
Recommended Standards
- Isavuconazole Impurity 31 (CAS 20099-89-2)
- 850832-54-1 Methyl 4-bromo-5-methyl-1,2-oxazole-3-carboxylate DTXSID80649350 (CAS 850832-54-1)
- Isavuconazole Impurity 61 (CAS 683274-86-4)
- 31654-38-3 2-[(2-Bromopropanoyl)amino]propanoic acid MFCD00020394 (CAS 31654-38-3)
- Levocabastine EP Impurity B (CAS CATO-C4X-22892)
- Etrasimod impurity 3 (CAS CATO-C4X-32143)
- Tadalafil Impurity 141 (CAS 477970-21-1)
- 5-benzyl-3-methyl-1,2,4-triazin-6(1H)-one (CAS 15150-71-7)
- 3-(3-Methoxy-1-methyl-1H-pyrazol-4-yl)-4-(2-methoxyethyl)-5-((2-methoxyethyl)thio)-4H-1,2,4-triazole (CAS 1013774-40-7)
- Fluralaner impurity 29 (CAS CATO-C4X-218029)
- N-[4-Chloro-2-(trifluoromethyl)phenyl]-2-cyanoacetamide (CAS 1017052-21-9)
- 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Henicosafluoroundecyl)oxirane (CAS 38565-54-7)
- 4-Bromo-5-hydrazinylpyridazin-3(2H)-one (CAS 89123-59-1)
- Semaglutide impurity 83 (CAS CATO-C4X-222683)
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