Bedaquiline (1S,2R) Isomer Impurity 1 CAS 857086-93-2
| CAS No. | 857086-93-2 |
| Molecular Formula | C32H31BrN2O2 |
| Molecular Weight | 555.50 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 (1S,2R) Isomer Impurity 1.
As a process- or degradation-related impurity, Bedaquiline (1S,2R) Isomer Impurity 1 (CAS 857086-93-2, C32H31BrN2O2) is essential for impurity profiling, related-substances testing, and forced-degradation studies in pharmaceutical development.
Structurally, Bedaquiline (1S,2R) Isomer Impurity 1 (C32H31BrN2O2) 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 18.0, corresponding to approximately 18 ring(s) or double-bond equivalent(s). With a molecular weight of 555.50 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 (1S,2R) Isomer Impurity 1 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 | C32H31BrN2O2 |
| Molecular Weight | 555.50 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| 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) | 18.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 2 |
Related Bedaquiline Standards
- Bedaquiline (Mixture of Diastereomers) (CAS 654655-80-8)
- Bedaquiline Impurity 10 (CAS 916801-19-9)
- Bedaquiline (1R,2R)Isomer Impurity 2 (CAS 857086-94-3)
- Bedaquiline Impurity 20 (CAS CATO-C4X-116720)
- Bedaquiline (1S,2S) Isomer Impurity 3 (CAS 1972612-60-4)
- Bedaquiline Impurity 21 (CAS 1228594-68-0)
- (Rac)-Bedaquiline-d6 (CAS 2517573-53-2)
- Bedaquiline-d6 (Mixture of Diastereomers) (CAS CATO-CCAD303718)
Recommended Standards
- Beclometasone Dipropionate Monohydrate EP Impurity E (CAS 887130-68-9)
- 7720-83-4 Titanium(IV) iodide, anhydrous MFCD00043077 Titanium iodide (TiI4), (T-4)- Titanium iodide (TiI4), ( beta-4)- (CAS 7720-83-4)
- Ethyl 6-amino-5-cyano-2-[({3-cyano-5H,6H,7H,8H,9H-cyclohepta[b]pyridin-2-yl}sulfanyl)methyl]-4-(3,4-dichlorophenyl)-4H-pyran-3-carboxylate (CAS 445384-07-6)
- Betamethasone Valerate EP Impurity G (CAS CATO-C4X-143722)
- Cilostazol Impurity 9 (CAS 1796891-27-4)
- Daptomycin impurity 50 (CAS CATO-C4X-137850)
- Vibegron Impurity 16 (CAS CATO-C4X-237616)
- 5-Chloro-2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CAS 1423706-66-4)
- Ethyl 5-methyl-2-(1H-pyrrol-1-yl)thiophene-3-carboxylate (CAS 151258-64-9)
- Diethyl Phthalate-d4 (CAS 93952-12-6)
- 4-(Difluoromethyl)-5-hydroxy-6-methoxypyridine-3-sulfonyl chloride (CAS 1804860-20-5)
- n-(Furan-2-ylmethyl)benzenesulfonamide (CAS 4392-53-4)
- 4-Methoxythiophene-3-carbaldehyde (CAS 82069-74-7)
- Semaglutide Impurity 145 (CAS CATO-C4X-2226145)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com