Aprepitant impurity 1 (Standard)

cas: 170729-76-7 — see every product listed under this CAS number, including other names

Aprepitant impurity 1 (Standard) (CAS 170729-76-7) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas170729-76-7
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Structural formula: {0} (CAS {1})

3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylmorpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one (CAS 170729-76-7) is a chemical compound with the molecular formula C23H22F6N4O3 and a molecular weight of 516.4 g/mol. IUPAC name: 3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylmorpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one. InChIKey: YOBMIXIISZAQGF-CAYVGHNUSA-N.

Identity
Molecular formulaC23H22F6N4O3
Molecular weight516.4 g/mol
IUPAC name3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylmorpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
InChIKeyYOBMIXIISZAQGF-CAYVGHNUSA-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=CC=C4

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