Analytenname

4-Defluoro-3-(p-fluorophenyl) Aprepitant

Molekularformel

C29 H25 F7 N4 O3

Molekulargewicht

610.523

Genaue Masse

610.181

SMILES

C[C@@H](O[C@H]1OCCN(CC2=NNC(=O)N2)[C@H]1c3cccc(c3)c4ccc(F)cc4)c5cc(cc(c5)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C29H25F7N4O3/c1-16(20-12-21(28(31,32)33)14-22(13-20)29(34,35)36)43-26-25(40(9-10-42-26)15-24-37-27(41)39-38-24)19-4-2-3-18(11-19)17-5-7-23(30)8-6-17/h2-8,11-14,16,25-26H,9-10,15H2,1H3,(H2,37,38,39,41)/t16-,25+,26-/m1/s1

IUPAC

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

Versandtemperatur

Room Temperature

Herkunftsland

CANADA

Produktformat

Neat