Chemical Compound
Monobenzyl Fosaprepitant
CAS Registry Number
889852-02-2
Primary Record
Monobenzyl Fosaprepitant
- In stock
- 5,268 g
- Purity
- 98.3 %
- CAS
- 889852-02-2
Compound Identifiers & Properties
- CAS
- 889852-02-2
- PubChem CID
- 135399829
- SMILES
- C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=NN(C(=O)N3)P(=O)(O)OCC4=CC=CC=C4)C5=CC=C(C=C5)F
- Canonical SMILES
- C[C@@H](O[C@H]1OCCN(Cc2nn(P(=O)(O)OCc3ccccc3)c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
Names & Synonyms
- Monobenzyl Fosaprepitant
- MonobenzylFosaprepitant
- Fosaprepitant Benzyl Ester
- Aprepitant impurity 61
- Fosaprepitant Impurity 23
- MJQ95Y6PTV
- 889852-02-2
- SCHEMBL12203851
- QOXVNNXGBGMHCL-BLIZRMSTSA-O
- NP3713
- CID11505811
- AC-30424
- CID 11505811
- H20561
- A900064
- [3-[[(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-5-oxo-4H-1,2,4-triazol-1-yl]-phenylmethoxyphosphinic acid
- (Benzyloxy)(3-{[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl}-5-oxo-2,5-dihydro-1H-1,2,4-triazol-1-yl)phosphinic 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 Mono(phenylmethyl) Ester
- benzyl hydrogen (3-(((2R,3S)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-5-imino-4,5-dihydro-1H-1,2,4-triazol-1-yl)phosphonate
- 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]-, mono(phenylmethyl) ester