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: 2026-09-10 19:40:22
| Name | (R,R,R)-Aprepitant |
|---|---|
| Synonyms |
Apritant impurity 5/Apritant Impurity E
Apritant Related CoMpound A Apritant Related Compound A (10 mg) (3-[[(2R,3R)-2-[(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholino]methyl]-1H-1,2,4-triazol-5(4H)-one) Apritant Related Compound A (3-[[(2R,3R)-2-[(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fl ipitant related substance A reference substance Apritant Impurity E 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 Apritant(R,R,R)-Isomer（Azilstan Impurity 41） 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]-1,2-dihydro Apritant RRR isomer (diasteomer)-(5-(((2R,3R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl) ethoxy)-3-(4-fluorophenyl) morpholino)methyl)-1,2-dihydro-1,2,4-triazol-3-one) Apritant A Apritant impurity 04 3-(((2R,3R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1H-1,2,4-triazol-5(4H)-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 (1R,2R,3R)-Apritant Aprepitant Impurity 3 3-[[(2R,3R)-2-[(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholino]methyl]-1H-1,2,4-triazol-5(4H)-one ((R,R,R)-Apritant) "1R,2R,2R Apritant" 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 Apritant Impurity E/ (R,R,R)-Apritant 5-(((2R,3R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one Apritant trans-1-enantiomer Apritant RC A (R,R,R-Diasteromer) (R,R,R)-Apritant 3-[[(2R,3R)-2-[(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholino]methyl]-1H |
| 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 | |