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Fosaprepitant Impurity 2
[CAS# 172673-23-3]

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Identification
Name Fosaprepitant Impurity 2
Synonyms Aprepitant N-Oxide;3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-oxidomorpholin-4-ium-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
Molecular Structure CAS # 172673-23-3, Fosaprepitant Impurity 2, Aprepitant N-Oxide,3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-oxidomorpholin-4-ium-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
Molecular Formula C23H21F7N4O4
Molecular Weight 550.43
CAS Registry Number 172673-23-3
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=NNC(=O)N3)[O-])C4=CC=C(C=C4)F
Safety Data
Hazard Symbols symbol   GHS07 Warning    Details
Hazard Statements H315-H319-H335    Details
Precautionary Statements P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P362-P403+P233-P405-P501    Details
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