Aprepitant Impurity 35

cas: 172673-23-3 — see every product listed under this CAS number, including other names

Aprepitant Impurity 35 (CAS 172673-23-3) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-A161835
cas172673-23-3
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)-4-oxidomorpholin-4-ium-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one (CAS 172673-23-3) is a chemical compound with the molecular formula C23H21F7N4O4 and a molecular weight of 550.4 g/mol. IUPAC name: 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. InChIKey: CXAQOLFUIZCJSQ-FMSQANQXSA-N.

Identity
Molecular formulaC23H21F7N4O4
Molecular weight550.4 g/mol
IUPAC name3-[[(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
InChIKeyCXAQOLFUIZCJSQ-FMSQANQXSA-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)N3)[O-])C4=CC=C(C=C4)F

Computed by PubChem (NCBI)

Synonyms: Aprepitant N-Oxide, Aprepitant Impurity 35, Aprepitant Impurity 12

Also listed as

Aprepitant N-Oxide Chemat Brand CAS 172673-23-3
Aprepitant Impurity 26（N-Oxide） Hubei YoungXin CAS 172673-23-3
Aprepitant N-Oxide, >95% (HPLC) TRC CAS 172673-23-3