Atovaquone Impurity 9 CAS 1100053-58-4
| CAS No. | 1100053-58-4 |
| Molecular Formula | C22H19ClO2 |
| Molecular Weight | 350.84 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Atovaquone Impurity 9 is closely related to a steroid core, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Atovaquone Impurity 9 (CAS 1100053-58-4), molecular formula C22H19ClO2 and molecular weight 350.84 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Atovaquone Impurity 9 (C22H19ClO2) contains a steroid core, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 350.84 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C22H19ClO2 |
| Molecular Weight | 350.84 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; 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.) | 1989 |
| Halogen Content | Cl-containing |
Related Atovaquone Standards
- Atovaquone EP Impurity C (CAS 1809464-27-4)
- Atovaquone EP Impurity B (RC A) (CAS 137732-39-9)
- Atovaquone (CAS 95233-18-4)
- Atovaquone EP Impurity A (CAS 2517583-91-2)
- cis-Atovaquone-d5 (contains 10% trans isomer) (CAS 1217612-80-0)
- Atovaquone-d5 (CAS 1329792-63-3)
- Atovaquone EP Impurity D (CAS 129700-41-0)
- Atovaquone Impurity 1 (CAS 49708-81-8)
Recommended Standards
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- (S)-2-(tert-butoxycarbonyl)-3-methyl-2-((methylamino)methyl)butanoic acid (CAS 1890116-92-3)
- Pilocarpine-d3 HydrochlorideDiscontinued (CAS 1217838-88-4)
- Ethyl cis-3-amino-1-methylcyclobutanecarboxylate hydrochloride (CAS 1987332-74-0)
- 1-[5-Bromo-4-(4-chlorobenzoyl)-1H-pyrrol-2-yl]-2,2,2-trichloroethan-1-one (CAS 338394-74-4)
- Allo-D-Ile12-Tirzepatide (CAS CATO-CPTD788963)
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