Fosaprepitant Impurity 12

cas: 2204442-75-9 — see every product listed under this CAS number, including other names

Fosaprepitant Impurity 12 (CAS 2204442-75-9) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-F191638
cas2204442-75-9
sizeon request
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Structural formula: {0} (CAS {1})

3-[[(2R,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-[4-(4-fluorophenyl)phenyl]morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one (CAS 2204442-75-9) is a chemical compound with the molecular formula C29H25F7N4O3 and a molecular weight of 610.5 g/mol. IUPAC name: 3-[[(2R,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-[4-(4-fluorophenyl)phenyl]morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one. InChIKey: MUPWKDYRUDTXEG-KNYXRDEQSA-N.

Identity
Molecular formulaC29H25F7N4O3
Molecular weight610.5 g/mol
IUPAC name3-[[(2R,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-[4-(4-fluorophenyl)phenyl]morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
InChIKeyMUPWKDYRUDTXEG-KNYXRDEQSA-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)C4=CC=C(C=C4)C5=CC=C(C=C5)F

Computed by PubChem (NCBI)

Synonyms: 3-Des-(4-fluorophenyl) 3-(R)-(4'-Fluorobiphen-4-yl) Aprepitant
Related forms of this compound
3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-[4-(4-fluorophenyl)phenyl]morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one C29H25F7N4O3
Isomers (same molecular formula)
3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-[3-(4-fluorophenyl)phenyl]morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one C29H25F7N4O3
3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(2-fluoro-5-phenylphenyl)morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one C29H25F7N4O3