Regorafenib-13C-d3 N-Oxide CAS 835621-11-9 (Unlabeled)
| CAS No. | 835621-11-9 (Unlabeled) |
| Molecular Formula | C20[13C]H12D3ClF4N4O4 |
| Molecular Weight | 502.83 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Regorafenib-13C-d3 N-Oxide (CAS 835621-11-9 (Unlabeled)), molecular formula C20[13C]H12D3ClF4N4O4 and molecular weight 502.83 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of Regorafenib-13C-d3 N-Oxide (C20[13C]H12D3ClF4N4O4) is characterized by deuterium isotope labeling, a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine 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.
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 | C20[13C]H12D3ClF4N4O4 |
| Molecular Weight | 502.83 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | >90% |
| 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) | 15.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 4 |
Related Regorafenib Standards
- Regorafenib Impurity 13 (CAS 835621-11-9)
- Regorafenib Impurity 16 (CAS 1343498-71-4)
- Regorafenib Impurity 75 (CAS CATO-C4X-104775)
- Regorafenib-13C-D3 (CAS 2126178-55-8)
- Regorafenib-13C-d3 (CAS 755037-03-7 (Unlabeled))
- Regorafenib D3 (CAS 1255386-16-3)
- Regorafenib Impurity 14 (CAS 835621-12-0)
- Regorafenib (CAS 755037-03-7)
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