Fosaprepitant Impurity 11

cas: 2206135-44-4 — see every product listed under this CAS number, including other names

Fosaprepitant Impurity 11 (CAS 2206135-44-4) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-F191637
cas2206135-44-4
sizeon request
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Structural formula: {0} (CAS {1})

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 (CAS 2206135-44-4) is a chemical compound with the molecular formula C29H25F7N4O3 and a molecular weight of 610.5 g/mol. IUPAC name: 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. InChIKey: DXPNOYSVJGSPQI-RENKICTCSA-N.

Identity
Molecular formulaC29H25F7N4O3
Molecular weight610.5 g/mol
IUPAC name3-[[(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
InChIKeyDXPNOYSVJGSPQI-RENKICTCSA-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=C(C=CC(=C4)C5=CC=CC=C5)F

Computed by PubChem (NCBI)

Isomers (same molecular formula)
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
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,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 C29H25F7N4O3