Defluoro Aprepitant
Modify Date: 2025-08-25 12:50:21
Defluoro Aprepitant structure
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Common Name | Defluoro Aprepitant | ||
|---|---|---|---|---|
| CAS Number | 170729-76-7 | Molecular Weight | 516.43600 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C23H22F6N4O3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
| Name | 5-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylmorpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one |
|---|---|
| Synonym | More Synonyms |
| Molecular Formula | C23H22F6N4O3 |
|---|---|
| Molecular Weight | 516.43600 |
| Exact Mass | 516.16000 |
| PSA | 83.50000 |
| LogP | 5.16320 |
| InChIKey | YOBMIXIISZAQGF-CAYVGHNUSA-N |
| SMILES | CC(OC1OCCN(Cc2n[nH]c(=O)[nH]2)C1c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 |
| Storage condition | 2-8°C |
| RIDADR | NONH for all modes of transport |
|---|
| Defluoro Aprepitant |
| 5-[[(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-phenyl-4-morpholinyl]methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one |
| Aprepitant Impurity 8 |