Nombre del analito

(2S,3R,1'R)-Aprepitant

Número CAS

1185502-97-9

Fórmula molecular

C23 H21 F7 N4 O3

Peso molecular

534.427

Masa exacta

534.15

SMILES

C[C@@H](O[C@@H]1OCCN(CC2=NNC(=O)N2)[C@@H]1c3ccc(F)cc3)c4cc(cc(c4)C(F)(F)F)C(F)(F)F

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+/m1/s1

IUPAC

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

Temperatura de envío

Room Temperature

País de origen

CANADA

Tipo de producto

Impurity

Formato del producto

Neat