Aprepitant impurity 50 CAS 349-59-7
| CAS No. | 349-59-7 |
| Molecular Formula | C10H6F6 |
| Molecular Weight | 240.15 g/mol |
| Category | Pharmacopoeial Impurity Standards / EP Impurities |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Aprepitant impurity 50 is closely related to fluorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
As a process- or degradation-related impurity, Aprepitant impurity 50 (CAS 349-59-7, C10H6F6) is essential for impurity profiling, related-substances testing, and forced-degradation studies in pharmaceutical development.
Structurally, Aprepitant impurity 50 (C10H6F6) contains fluorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 240.15 g/mol, it falls into the medium-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
Recommended for quantitative analysis by HPLC, GC, LC-MS/MS, or GC-MS as an external calibration standard; it can also be used for spiked-recovery experiments, LOD/LOQ determination, and LC-MS/MS multiple-reaction-monitoring (MRM) calibration.
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 | C10H6F6 |
| Molecular Weight | 240.15 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate |
| Stability | May oxidize slowly on prolonged air exposure |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1957 |
| Halogen Content | F-containing |
Related Aprepitant Standards
- Aprepitant impurity 150 (CAS CATO-C4X-114150)
- Aprepitant impurity 51 (CAS CATO-C4X-114151)
- Aprepitant impurity 52 (CAS CATO-C4X-114152)
- Aprepitant Impurity 34 (CAS 30071-93-3)
- Aprepitant Impurity 75 (CAS 240489-98-9)
- Aprepitant impurity 28 (CAS 479679-98-6)
- Aprepitant Impurity 32 (CAS 225920-05-8)
- Aprepitant Impurity 33 (CAS 1265177-56-7)
Recommended Standards
- 2-(3-Methoxy-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane 2-(3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 3 - Methoxyphenylboronic acid pinacol ester 325142-84-5 methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl ether (CAS 325142-84-5)
- (1-ISOPROPYLPYRAZOL-4-YL)BORONIC ACID PINACOL ESTER 1-(1-METHYLETHYL)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE 1-ISOPROPYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE 879487-10-2 BC000622 (CAS 879487-10-2)
- (4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)METHANOL 2-(4-HYDROXYMETHYLPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE 302348-51-2 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZYL ALCOHOL 4-(HYDROXYMETHYL)BENZENEBORONIC ACID PINACOL ESTER 4-(HYDROXYMETHYL)PHENYLBORONIC ACID PINACOL ESTER BC001637 (CAS 302348-51-2)
- 948291-38-1 2-Chloro-3-(chloromethyl)-7-fluoroquinoline DTXSID10588985 (CAS 948291-38-1)
- Ertugliflozin impurity 30 (CAS 1298086-18-6)
- Metaraminol Impurity 110 (CAS CATO-C4X-2252110)
- Baricitinib Impurity 39 (CAS 1146629-76-6)
- 4-Fluoro-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazol-2-amine (CAS 1105188-56-4)
- (2-Bromothiazol-5-yl)(morpholino)methanone (CAS 1290136-88-7)
- 6-Fluoro-8-(piperazin-1-yl)quinoline hydrochloride (CAS 1956310-65-8)
- (2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen phosphate (CAS 2255-14-3)
- Methyl 3-(6-chloro-4-oxoquinolin-1(4H)-yl)propanoate (CAS 1279212-97-3)
- (2-((3-Ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)methoxy)ethyl)trimethylsilane (CAS 1825308-55-1)
- Semaglutide Impurity 124 (CAS CATO-C4X-2226124)
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