5-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-3-[(1Z)-1-{2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazin-1-ylidene}ethyl]-3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2]oxazole-4,6-dione CAS 337920-32-8
| CAS No. | 337920-32-8 |
| Molecular Formula | C20H13Cl2F6N7O3 |
| Molecular Weight | 584.26 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
5-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-3-[(1Z)-1-{2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazin-1-ylidene}ethyl]-3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 337920-32-8), molecular formula C20H13Cl2F6N7O3 and molecular weight 584.26 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 5-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-3-[(1Z)-1-{2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazin-1-ylidene}ethyl]-3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (C20H13Cl2F6N7O3) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 584.26 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C20H13Cl2F6N7O3 |
| Molecular Weight | 584.26 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 7 |
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Recommended Standards
- 3',6'-Bis{[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]-3H-[spiro(isobenzofuran-1,9,-xanthen]-3-one} FBBBE (CAS 1522117-83-4)
- N-(3-Dimethylaminopropyl)perfluorooctanesulfonamide (CAS 13417-01-1)
- Br-PEG9-CH2CH2Br (CAS 140714-66-5)
- Diethyl (1H,1H,2H,2H-heptadecafluorodec-1-yl)phosphonate (CAS 90146-96-6)
- N-(4-Aminophenyl)-2-(1H-benzo[d][1,2,3]triazol-1-yl)acetamide (CAS 436090-04-9)
- Ethyl 2-(tert-butoxycarbonylamino)thiazole-5-carboxylate (CAS 302964-01-8)
- Ethyl 3-chloro-6-fluorobenzo[b]thiophene-2-carboxylate (CAS 327980-05-2)
- Amisulpride Impurity 64 (CAS CATO-C4X-104564)
- 3-((3-Methylcyclohexyl)amino)propan-1-ol (CAS 1024275-22-6)
- FITC-εAhx-Gly-Arg-Gly-Asp-Ser-Pro-OH trifluoroacetate salt (CAS 2022956-44-9)
- (1r)-1-(Naphthalen-2-yl)ethane-1,2-diol (CAS 49801-14-1)
- (R)-2-(3,4-dimethylphenyl)-2-(methylamino)ethan-1-ol (CAS 1336399-55-3)
- Quetiapine Fumarate (CAS CATO-C4X-124443)
- Insulin B (22-25) (CAS 34367-73-2)
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