1148113-53-4
1148113-53-4 structure
- Name: (1R,2R,3R)-Aprepitant
- Chemical Name: (R,R,R)-Aprepitant
- CAS Number: 1148113-53-4
- Molecular Formula: C23H21F7N4O3
- Molecular Weight: 534.427
- Create Date: 2016-02-20 21:28:32
- Modify Date: 2024-01-10 17:42:02
| Name | (R,R,R)-Aprepitant |
|---|---|
| Synonyms |
5-{[(2R,3R)-2-{(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)-4-morpholinyl]methyl}-1,2-dihydro-3H-1,2,4-triazol-3-one
5-[[(2R,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one 3H-1,2,4-Triazol-3-one, 5-[[(2R,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-2,4-dihydro- Aprepitant Impurity 3 |
| Density | 1.5±0.1 g/cm3 |
|---|---|
| Molecular Formula | C23H21F7N4O3 |
| Molecular Weight | 534.427 |
| Exact Mass | 534.150208 |
| PSA | 83.50000 |
| LogP | 4.23 |
| Index of Refraction | 1.564 |
| RIDADR | NONH for all modes of transport |
|---|
|
~10%
1148113-53-4 |
| Literature: Gangula, Srinivas; Elati, Chandrashekhar R.; Mudunuru, Satish Varma; Nardela, Anitha; Dongamanti, Ashok; Bhattacharya, Apurba; Bandichhor, Rakeshwar Synthetic Communications, 2010 , vol. 40, # 15 p. 2254 - 2268 |
| Precursor 2 | |
|---|---|
| DownStream 0 | |