Desmethyl rac-Cabastine HCl CAS 80139-91-9
| CAS No. | 80139-91-9 |
| Molecular Formula | C25H27FN2O2 |
| Molecular Weight | N/A |
| 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.
Desmethyl rac-Cabastine HCl (CAS 80139-91-9), molecular formula C25H27FN2O2HCl and molecular weight 442.96 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C25H27FN2O2HCl, Desmethyl rac-Cabastine HCl contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 442.96 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C25H27FN2O2 HCl |
| Molecular Weight | 442.96 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1979 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
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Recommended Standards
- tert-Butyl((3S,4S)-4-(hydroxymethyl)pyrrolidin-3-yl)carbamic acid (CAS 577776-82-0)
- Ethyl 3-phenyl-1,2,4-thiadiazole-5-carboxylate (CAS 50483-79-9)
- tert-Butyl 4-(2-cyanophenyl)-5,6-dihydropyridine-1(2H)-carboxylate (CAS 194669-38-0)
- 2-(4-((2-Ethylthiazol-4-yl)methyl)piperazin-1-yl)ethan-1-ol (CAS 1252441-75-0)
- 3-Chloro-5-methylisoxazole-4-carboxylic acid (CAS 16880-29-8)
- 1-(2-Chloropyridin-4-yl)-4-cyclohexylbutan-1-one (CAS 898785-48-3)
- trans-4-(((tert-Butoxycarbonyl)(methyl)amino)methyl)cyclohexane-1-carboxylic acid (CAS 165947-29-5)
- N-(4-(Fluoromethyl)thiazol-2-yl)acetamide (CAS 1217486-96-8)
- H-Resorcinol Disodium salt (CAS 63589-22-0)
- Acetyl-Tau Peptide (273-284) amide trifluoroacetate salt (CAS 1684399-52-7)
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