(6S,12aR)-3,10-dibromo-6-phenyl-12,12a-dihydro-6H-benzo[5,6][1,3]oxazino[3,4-a]indole CAS 1585969-16-9
| CAS No. | 1585969-16-9 |
| Molecular Formula | C21H15Br2NO |
| Molecular Weight | 457.16 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies (6S,12aR)-3,10-dibromo-6-phenyl-12,12a-dihydro-6H-benzo[5,6][1,3]oxazino[3,4-a]indole (CAS 1585969-16-9), a certified reference material (molecular formula C21H15Br2NO, MW 457.16 g/mol) for analytical method development and quality control.
Based on its molecular formula C21H15Br2NO, (6S,12aR)-3,10-dibromo-6-phenyl-12,12a-dihydro-6H-benzo[5,6][1,3]oxazino[3,4-a]indole contains a steroid core, an amide group, a hydroxyl group, an ether linkage, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 457.16 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C21H15Br2NO |
| Molecular Weight | 457.16 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, 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 |
| Degree of Unsaturation (DBE) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1993 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
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