Nombre del analito

4-Defluoro-4-(p-fluorophenyl)aprepitant

Fórmula molecular

C29 H25 F7 N4 O3

Peso molecular

610.523

Masa exacta

610.181

SMILES

C[C@@H](O[C@@H]1OCCN(CC2=NNC(=O)N2)[C@@H]1c3ccc(cc3)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(10-11-42-26)15-24-37-27(41)39-38-24)19-4-2-17(3-5-19)18-6-8-23(30)9-7-18/h2-9,12-14,16,25-26H,10-11,15H2,1H3,(H2,37,38,39,41)/t16-,25-,26+/m1/s1

IUPAC

3-[[(2S,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

Temperatura de envío

Room Temperature

País de origen

CANADA

Formato del producto

Neat