(S,S,S)-Aprepitant

CAT: 0572-TRC-A729780-25MGSize: 25 mgDry Ice: NoHazardous: No
CAT#:0572-TRC-A729780-25MGSize:25 mg
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CAS Number
1242175-40-1
Hazard Statement
No Data Available
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
Molecular Formula
C23 H21 F7 N4 O3
Molecular Weight
534.427
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: 3-[[(2S,3S)-2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one

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