Desfluoro Aprepitant

Impurity

This molecule is a impurity of Fosaprepitant.

Impurity

Desfluoro Aprepitant

Cat. No. ANTPRD9264Please EnquireSynthesized

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Technical Data

Cat. No.ANTPRD9264

CAS—

Mol. FormulaC₂₃H₂₂F₆N₄O₃

Mol. Weight516.442 g/mol

IUPAC5-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylmorpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one

SMILESC[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

InChIInChI=1S/C23H22F6N4O3/c1-13(15-9-16(22(24,25)26)11-17(10-15)23(27,28)29)36-20-19(14-5-3-2-4-6-14)33(7-8-35-20)12-18-30-21(34)32-31-18/h2-6,9-11,13,19-20H,7-8,12H2,1H3,(H2,30,31,32,34)/t13-,19+,20-/m1/s1

InChI KeyYOBMIXIISZAQGF-CAYVGHNUSA-N

Description

Overview

Desfluoro Aprepitant , Fosaprepitant, 5-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylmorpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one

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