3-[[[(2S,4S)-4-Mercapto-1-(4-Nitrobenzyloxy)Carbonyl-2-Pyrrolidinyl]Carbonyl]Amino]Benzoic Acid CAS 202467-69-4
| CAS No. | 202467-69-4 |
| Molecular Formula | C20H19N3O7S |
| Molecular Weight | 445.45 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
3-[[[(2S,4S)-4-Mercapto-1-(4-Nitrobenzyloxy)Carbonyl-2-Pyrrolidinyl]Carbonyl]Amino]Benzoic Acid (CAS 202467-69-4) is a high-purity analytical reference standard with the molecular formula C20H19N3O7S and a molecular weight of 445.45 g/mol.
Based on its molecular formula C20H19N3O7S, 3-[[[(2S,4S)-4-Mercapto-1-(4-Nitrobenzyloxy)Carbonyl-2-Pyrrolidinyl]Carbonyl]Amino]Benzoic Acid contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 445.45 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
Physical & Chemical Properties
| Molecular Formula | C20H19N3O7S |
| Molecular Weight | 445.45 g/mol |
| Purity | >95% |
| 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 |
| Degree of Unsaturation (DBE) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2014 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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