Account 5-(((2S,3S)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1H-1,2,4-triazol-3(2H)-one
- Catalog No. :
- ACIBAF807
- CAS No. :
- 172822-28-5
- Molecular Formula :
- C23H21F7N4O3
- Molecular Weight :
- 534.43
IUPAC Name:5-(((2S,3S)-2-((R)-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-(((2S,3S)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1H-1,2,4-triazol-3(2H)-one |
|---|---|
| IUPAC Name | 5-(((2S,3S)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1H-1,2,4-triazol-3(2H)-one |
| 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-CFGAKRJMSA-N |
| Synonym | Aprepitant Impurity - (RSS);Aprepitant Intermediate Impurity -(RSS);Aprepitant impurity 7/(1R,2S,3S)-Aprepitant;Aprepitant Impurity 6(R,S,S-Isomer);(R,S,S)-Enantiomer Aprepitant;Aprepitant (R,S,S)-Isomer;Aretetan Impurity-(RSS);5-([(2S,3S)-2-((R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy)-3-(4-fluoro phenyl)morpholino]methyl)-1H-1,2,4-triazol-3(2H)-one |
| CAS No. | 172822-28-5 |
| PubChem CID | 135506334 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H319-H351
- Precautionary Statement(s)
- P201-P202-P264-P280-P305+P351+P338-P308+P313-P337+P313-P405-P501
Synthetic Route by SureRoute
2. ACIBAF807 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-