Fosaprepitant Impurity V

cas: 172673-19-7 — see every product listed under this CAS number, including other names

Fosaprepitant Impurity V (CAS 172673-19-7) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-F191622
cas172673-19-7
sizeon request
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Structural formula: {0} (CAS {1})

[3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-5-oxo-1H-1,2,4-triazol-4-yl]phosphonic acid (CAS 172673-19-7) is a chemical compound with the molecular formula C23H22F7N4O6P and a molecular weight of 614.4 g/mol. IUPAC name: [3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-5-oxo-1H-1,2,4-triazol-4-yl]phosphonic acid. InChIKey: HQNMAIKGOBXUND-OITMNORJSA-N.

Identity
Molecular formulaC23H22F7N4O6P
Molecular weight614.4 g/mol
IUPAC name[3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-5-oxo-1H-1,2,4-triazol-4-yl]phosphonic acid
InChIKeyHQNMAIKGOBXUND-OITMNORJSA-N
SMILESC[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=NNC(=O)N3P(=O)(O)O)C4=CC=C(C=C4)F

Computed by PubChem (NCBI)

Synonyms: Fosaprepitant Impurity V, HQNMAIKGOBXUND-OITMNORJSA-N
Isomers (same molecular formula)
[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]phosphonic acid C23H22F7N4O6P
[3-[[(2R,3R)-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]phosphonic acid C23H22F7N4O6P