Account 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
- Catalog No. :
- ACRUNH930
- CAS No. :
- 1148113-53-4
- Molecular Formula :
- C23H21F7N4O3
- Molecular Weight :
- 534.43
IUPAC Name: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
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Product Information
| Product Name | 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 |
|---|---|
| IUPAC Name | 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 |
| MDL No. | MFCD23704633 |
| Molecular Formula | C23H21F7N4O3 |
| Molecular Weight | 534.43 |
| SMILES | O=C1NC(CN2CCO[C@H](O[C@H](C)C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)[C@]2(C4=CC=C(F)C=C4)[H])=NN1 |
| InChI Key | ATALOFNDEOCMKK-TVNIXMEMSA-N |
| Synonym | (R,R,R)-Aprepitant;Aprepitant trans-1-enantiomer;Aprepitant 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);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;Aprepitant Related CoMpound A;Aprepitant EP Impurity E;Aprepitant A;Aprepitant USP RC A (R,R,R-Diasteromer) |
| CAS No. | 1148113-53-4 |
Synthetic Route by SureRoute
2. ACRUNH930 Molecular Building Block Synthetic Route
5-(((2R,3S)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1H-1,2,4-triazol-3(2H)-one
3H-1,2,4-Triazol-3-one, 5-[[(2S,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,3S)-2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-