[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] 4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoate CAS 869075-89-7
| CAS No. | 869075-89-7 |
| Molecular Formula | C22H33Cl2N3O7 |
| Molecular Weight | 522.42 g/mol |
| Category | Pharmacopoeial Impurity Standards / EP Impurities |
| Availability | In Stock |
Chemical Structure
Description
This reference standard supports related-substances testing and method development in line with ICH Q3A/Q3B guidance on impurity control, and is suitable for system suitability testing and forced-degradation studies.
[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] 4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoate (CAS 869075-89-7) is a certified pharmaceutical impurity reference standard with the molecular formula C22H33Cl2N3O7 and a molecular weight of 522.42 g/mol.
[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] 4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoate (C22H33Cl2N3O7) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C22H33Cl2N3O7 |
| Molecular Weight | 522.42 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
Recommended Standards
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- 4-Bromo-N,N,1-tris(4-methoxybenzyl)-1H-pyrazol-3-amine (CAS 930286-87-6)
- Procymidone Impurity 43 (CAS 169327-83-7)
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- Mefenamic Acid Impurity 3 (CAS 83-41-0)
- 2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-6-[(phenylsulfanyl)methyl]pyrimidin-4-ol (CAS 860609-66-1)
- 2-(2-Amino[1,3]thiazolo[4,3-b]-[1,3,4]thiadiazol-5-yl)phenol (CAS 137609-25-7)
- 3-(2,6-Difluoro-phenoxy)-azetidine hydrochloride (CAS 1965310-43-3)
- Bis(2-((S)-4-(tert-butyl)-4,5-dihydrooxazol-2-yl)phenyl)amine (CAS 485394-22-7)
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- 5-Chloro-6-ethoxypyridine-3-carboxylic acid (CAS 954277-71-5)
- Peptide WE-14 (CAS 115136-18-0)
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