Account 5-(((2S,3R)-2-((S)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1,2-dihydro-3H-1,2,4-triazol-3-one
- Catalog No. :
- ACTWCV713
- CAS No. :
- 172822-29-6
- Molecular Formula :
- C23H21F7N4O3
- Molecular Weight :
- 534.43
IUPAC Name:5-(((2S,3R)-2-((S)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1,2-dihydro-3H-1,2,4-triazol-3-one
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Product Information
| Product Name | 5-(((2S,3R)-2-((S)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1,2-dihydro-3H-1,2,4-triazol-3-one |
|---|---|
| IUPAC Name | 5-(((2S,3R)-2-((S)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1,2-dihydro-3H-1,2,4-triazol-3-one |
| MDL No. | MFCD23704634 |
| 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-KNMUDHKVSA-N |
| Synonym | Aprepitant Related Compound B (10 mg) (3-[[(2S,3R)-2-[(S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholino]methyl]-1H-1,2,4-triazol-5(4H)-one);ent-Aprepitant;Aprepitant R C B (USP);Aprepitant S,R,S isomer;Aprepitant USP RC B;Aprepitant impurity 4/Aprepitant EP Impurity D/ent-Aprepitant;[2S-[2α(R*),3α]]-5-[[2-[1-[3,5-Bis(trifluoroMethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-Morpholinyl]Me;5-[[(2S,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 |
| CAS No. | 172822-29-6 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H413
- Precautionary Statement(s)
- P264-P270-P273-P301+P312-P330-P501
Synthetic Route by SureRoute
2. ACTWCV713 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-