| CAS No. | 2095003-15-7 |
| Molecular Formula | C44H57N4O3 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
The occurrence of (1S,2S,4S,5R)-1-(3,5-di-tert-butylbenzyl)-2-((S)-(3-((S)-2-hydroxy-1-phenylethyl)ureido)(6-methoxyquinolin-4-yl)methyl)-5-vinylquinuclidin-1-ium bromide is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
(1S,2S,4S,5R)-1-(3,5-di-tert-butylbenzyl)-2-((S)-(3-((S)-2-hydroxy-1-phenylethyl)ureido)(6-methoxyquinolin-4-yl)methyl)-5-vinylquinuclidin-1-ium bromide (CAS 2095003-15-7), molecular formula C44H57N4O3Br and molecular weight 769.87 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution, (1S,2S,4S,5R)-1-(3,5-di-tert-butylbenzyl)-2-((S)-(3-((S)-2-hydroxy-1-phenylethyl)ureido)(6-methoxyquinolin-4-yl)methyl)-5-vinylquinuclidin-1-ium bromide is typically pale yellow to yellow amorphous powder. Its solid-state physicochemical attributes — including a molecular weight of 769.87 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
As a certified reference material (CRM), (1S,2S,4S,5R)-1-(3,5-di-tert-butylbenzyl)-2-((S)-(3-((S)-2-hydroxy-1-phenylethyl)ureido)(6-methoxyquinolin-4-yl)methyl)-5-vinylquinuclidin-1-ium bromide 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.
| Molecular Formula | C44H57N4O3 Br |
| Molecular Weight | 769.87 g/mol |
| 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.) | 1997 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 4 |