[1(S)-Phenylethoxy]-Aprepitant

[1(S)-Phenylethoxy]-Aprepitant

• Synonyms: [2R-[2α(S*),3α]]-5-[[2-[1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-3H-1,2,4-Triazol-3-one;
• CAS Number: 170902-81-5
• Hazard Statement: No Data Available
• Smiles: C(N1[C@H]([C@@H](O[C@@H](C)C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)OCC1)C3=CC=C(F)C=C3)C4=NNC(=O)N4
• Molecular Formula: C23H21F7N4O3
• Molecular Weight: 534.43
• 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
• Additionnal Information: IUPAC name: 5-(((2R,3S)-2-((S)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
• Shipping Conditions: Room Temperature