Ataciguat CAS 254877-67-3
| CAS No. | 254877-67-3 |
| Molecular Formula | C21H19Cl2N3O6S3 |
| Molecular Weight | 576.49 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 576.49 g/mol gives Ataciguat distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Ataciguat (CAS 254877-67-3), molecular formula C21H19Cl2N3O6S3 and molecular weight 576.49 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution, Ataciguat is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 576.49 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.
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 | C21H19Cl2N3O6S3 |
| Molecular Weight | 576.49 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 3 |
Recommended Standards
- 2-[(3AR)-3a-methyl-5-oxo-1-[3-(trifluoromethyl)benzoyl]-octahydropyrrolo[2,3-b]pyrrol-2-yl]phenyl 3-(trifluoromethyl)benzoate (CAS 956401-90-4)
- PROCYANIDIN A1 (CAS 12798-56-0)
- 2,7-Dibromo-9,9-dinonyl-9H-fluorene (CAS 480997-58-8)
- Chamaemeloside (CAS 173356-77-9)
- 2-Amino-2,3,3-trimethylbutanoic acid (CAS 144731-95-3)
- 3-Amino-n-(3-pyridinylmethyl)benzamide (CAS 25844-49-9)
- H-Arg-Lys-Gly-Asp-Ile-Lys-Ser-Tyr-pNA (L-2110.0001) (CAS 204450-29-3)
- 3-Ethyl-N-(thiophen-3-ylmethyl)aniline (CAS 1020975-94-3)
- Methyl 5-methoxy-2-(2-methoxy-2-oxoethyl)benzoate (CAS 255376-41-1)
- 5,7-diiodoimidazo[5,1-b]thiazole (CAS 208722-50-3)
- 4-(Bromomethyl)-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-indazole (CAS 2173991-89-2)
- Methyl 2-bromo-3-(4-fluorophenyl)propanoate (CAS 82455-06-9)
- Methyl 3-({[1-(pyridin-2-yl)ethyl]amino}methyl)furan-2-carboxylate (CAS 1154319-51-3)
- Tirzepatide Impurity 9 (CAS CATO-C4X-32409)
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