(1R,2R,3R)-Aprepitant
Modify Date: 2025-09-02 16:38:33
(1R,2R,3R)-Aprepitant structure
|
Common Name | (1R,2R,3R)-Aprepitant | ||
|---|---|---|---|---|
| CAS Number | 1148113-53-4 | Molecular Weight | 534.427 | |
| Density | 1.5±0.1 g/cm3 | Boiling Point | N/A | |
| Molecular Formula | C23H21F7N4O3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
| Name | (R,R,R)-Aprepitant |
|---|---|
| Synonym | More Synonyms |
| 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 |
| InChIKey | ATALOFNDEOCMKK-TVNIXMEMSA-N |
| SMILES | CC(OC1OCCN(Cc2n[nH]c(=O)[nH]2)C1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 |
| RIDADR | NONH for all modes of transport |
|---|
|
~10%
(1R,2R,3R)-Apre... CAS#: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 |
![(2R,3R)-2-[(1R)-1-(3,5-bis-trifluoro-methylphenyl)ethoxy]-3-(4-fluorophenyl)morpholine structure](https://image.chemsrc.com/caspic/046/380499-06-9.png)
| Precursor 2 | |
|---|---|
| DownStream 0 | |
| 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 |