Account 5-(((2R,3R)-2-((S)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1H-1,2,4-triazol-3(2H)-one
- Catalog No. :
- ACLMOI224
- CAS No. :
- 1242175-34-3
- Molecular Formula :
- C23H21F7N4O3
- Molecular Weight :
- 534.43
IUPAC Name:5-(((2R,3R)-2-((S)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1H-1,2,4-triazol-3(2H)-one
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Product Information
| Product Name | 5-(((2R,3R)-2-((S)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1H-1,2,4-triazol-3(2H)-one |
|---|---|
| IUPAC Name | 5-(((2R,3R)-2-((S)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1H-1,2,4-triazol-3(2H)-one |
| MDL No. | MFCD24386575 |
| Molecular Formula | C23H21F7N4O3 |
| Molecular Weight | 534.43 |
| SMILES | O=C1NNC(CN2[C@H](C3=CC=C(F)C=C3)[C@@H](O[C@H](C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)C)OCC2)=N1 |
| InChI Key | ATALOFNDEOCMKK-NXXCRTJYSA-N |
| Synonym | Aprepitant Impurity 7;5-[[(2R,3R)-2-[(1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one;Aprepitant (S,R,R)-Isomer;(2R,3R,1’S)-Aprepitant;Aprepitant iMpurity 31;Aprepitant Impurity 4(S,R,R-Isomer);Aprepitant impurity 8/(1S,2R,3R)-Aprepitant;5-([(2R,3R)-2-((S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy)-3-(4-fluoro phenyl)morpholino]methyl)-1H-1,2,4-triazol-3(2H)-one |
| CAS No. | 1242175-34-3 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Synthetic Route by SureRoute
2. ACLMOI224 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-