n-(2-Chloro-1-(3,4,5-trihydroxy-6-(methylthio)tetrahydro-2h-pyran-2-yl)propyl)-1-methyl-4-propylpyrrolidine-2-carboxamide CAS 1097774-72-5
| CAS No. | 1097774-72-5 |
| Molecular Formula | C18H33ClN2O5S |
| Molecular Weight | 424.98 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
n-(2-Chloro-1-(3,4,5-trihydroxy-6-(methylthio)tetrahydro-2h-pyran-2-yl)propyl)-1-methyl-4-propylpyrrolidine-2-carboxamide (CAS 1097774-72-5), molecular formula C18H33ClN2O5S and molecular weight 424.98 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of n-(2-Chloro-1-(3,4,5-trihydroxy-6-(methylthio)tetrahydro-2h-pyran-2-yl)propyl)-1-methyl-4-propylpyrrolidine-2-carboxamide (C18H33ClN2O5S) is characterized by an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, 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. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C18H33ClN2O5S |
| Molecular Weight | 424.98 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) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
- 3,3-Bis(trifluoromethyl)-1-bromo-4,4,5,5,6,6,6-heptafluorohex-1-ene (CAS 128454-94-4)
- Epinastine Impurity 47 (CAS CATO-C4X-184047)
- 2-Bromo-1H,1H-perfluorooct-1-ene (CAS 51249-64-0)
- N-[(4-Chlorophenyl)methyl]-1-cyclohexyl-6-oxo-2-phenylpiperidine-3-carboxamide (CAS 439111-06-5)
- Silver(I) formate (CAS 13126-70-0)
- 5-(Furan-2-yl(4-(2-hydroxyethyl)piperazin-1-yl)methyl)thiazolo[3,2-b][1,2,4]triazol-6-ol (CAS 868220-81-9)
- 6-(Piperazin-1-yl)pyridin-3-amine (CAS 119285-06-2)
- 2-(tert-Butyl)-5-cyclopropoxypyridine (CAS 1243450-86-3)
- N-(Benzo[b]thiophen-4-yl)acetamide (CAS 17402-84-5)
- (3-Iodo-5-methylphenyl)methanol (CAS 937638-61-4)
- 1-(1,5-Dimethyl-1H-pyrazol-4-yl)-N-(furan-2-ylmethyl)methanamine hydrochloride (CAS 1856060-85-9)
- 2-((4-Methoxyphenyl)thio)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethan-1-one (CAS 478029-75-3)
- 5-(2-Chloro-4-fluorophenoxymethyl)thiophene-2-carboxylic acid (CAS 934127-20-5)
- Peptide Impurity 06 (CAS CATO-CPTD788806)
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