Delamanid Impurity N1 CAS 287952-66-3
| CAS No. | 287952-66-3 |
| Molecular Formula | C17H22F3NO4 |
| Molecular Weight | 361.36 g/mol |
| Category | Pharmacopoeial Impurity Standards / EP Impurities |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Delamanid Impurity N1 is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
As a process- or degradation-related impurity, Delamanid Impurity N1 (CAS 287952-66-3, C17H22F3NO4) is essential for impurity profiling, related-substances testing, and forced-degradation studies in pharmaceutical development.
The molecular framework of Delamanid Impurity N1 (C17H22F3NO4) is characterized by a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, 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.
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 | C17H22F3NO4 |
| Molecular Weight | 361.36 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Delamanid Standards
Recommended Standards
- 5-Bromo-3-chloro-2-iodobenzoic acid (CAS 860695-47-2)
- N-[(4-Methylphenyl)methyl]-2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]propanamide (CAS 866144-31-2)
- 5-bromo-2-chloro-3-iodobenzoic acid (CAS 501009-10-5)
- tert-Butyl (2-amino-5-morpholino-4-(trifluoromethyl)phenyl)carbamate (CAS 473537-64-3)
- Netupitant Impurity 11 (CAS CATO-C4X-122311)
- Salbutamol Impurity 172 (CAS 2691147-78-9（free base）)
- Dabigatran Impurity 9 (CAS 1381757-44-3)
- 7-(Thiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyrimidine (CAS 255389-52-7)
- 3-Bromo-5-fluoro-2-isopropoxybenzaldehyde (CAS 1781579-84-7)
- 5-Acetyl-2-amino-6-methyl-4-phenyl-4H-pyran-3-carbonitrile (CAS 89809-89-2)
- Methyl 5-methyl-3-oxo-2,3-dihydropyridazine-4-carboxylate (CAS 1363382-35-7)
- (2R,3R,4S,5R)-2-(6-Amino-8-(thiophen-2-yl)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol (CAS 158555-06-7)
- N-(3-Methyl-5-phenyl-1H-pyrazol-4-yl)isonicotinamide (CAS 645418-11-7)
- Insulin Degludec Impurity 10 (CAS CATO-C4X-215710)
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