Aprepitant EP Impurity A

CAT No.

ALN-A030007

CAS No.

170729-76-7

Mol. F.

C23H22F6N4O3

Mol. Wt.

516.4

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Product Overview

Technical Data

Reference

RFQ

Product Overview

Chemical Name : 5-[[(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-phenylmorpholin-4-yl]methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one (as per EP) ; (5-{[(2R,3S)-2-{(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-3-phenylmorpholino]methyl}-2H-1,2,4-triazol-3(4H)-one) (as per USP)

Smiles : O=C1NN=C(CN2[C@@H](C3=CC=CC=C3)[C@@H](O[C@@H](C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)C)OCC2)N1

Inchi : InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19-,20-/m0/s1

Synonym : Desfluoro Aprepitant

Technical Data