Account Fosaprepitant
- Catalog No. :
- ACRIQJ243
- CAS No. :
- 172673-20-0
- Molecular Formula :
- C23H22F7N4O6P
- Molecular Weight :
- 614.41
IUPAC Name:(3-(((2R,3S)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-5-oxo-2,5-dihydro-1H-1,2,4-triazol-1-yl)phosphonic acid
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Product Information
| Product Name | Fosaprepitant |
|---|---|
| IUPAC Name | (3-(((2R,3S)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-5-oxo-2,5-dihydro-1H-1,2,4-triazol-1-yl)phosphonic acid |
| Molecular Formula | C23H22F7N4O6P |
| Molecular Weight | 614.41 |
| SMILES | O=C1N=C(CN2[C@@H](C3=CC=C(F)C=C3)[C@@H](O[C@H](C)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)OCC2)NN1P(O)(O)=O |
| InChI Key | BARDROPHSZEBKC-OITMNORJSA-N |
| Synonym | [3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-5-oxo-2H-1,2,4-triazol-1-yl]phosphonic acid;[3-[[(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-2,5-dihydro-5-oxo-1H-1,2,4-triazol-1-yl]phosphonic acid;L 758298;P-[3-[[(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoroMethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-Morpholinyl]Methyl]-2,5-dihydro-5-oxo-1H-1,2,4-triazol-1-yl]phosphonic Acid;MK-0517 (Fosaprepitant);D-Glucitol, 1-deoxy-1-(MethylaMino)-, (3-(((2R,3S)-2-((1R)-1-(3,5-bis(trifluoroMethyl)phenyl)ethoxy)-3-(4-fluorophenyl)-4- Morpholinyl)Methyl)-2,5-dihydro-5-oxo-1H-1,2,4-triazol-1-yl)phosphonate (2:1);Fosaprepitant;Fosaprepitant (See also F727305) |
| CAS No. | 172673-20-0 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Synthetic Route by SureRoute
2. ACRIQJ243 Molecular Building Block Synthetic Route
(2R,3R,4R,5S)-6-(Methylamino)hexane-1,2,3,4,5-pentaol ((3-(((2R,3S)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)phosphonate)(2:1)
Benzyl hydrogen (3-(((2R,3S)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)phosphonate
Dibenzyl (3-(((2R,3S)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)phosphonate