PHR3422

Aprepitant

certified reference material, pharmaceutical secondary standard

• Synonym(s): Aprepitant, 3-[[(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholino]methyl]-1H-1,2,4-triazol-5(4H)-one, 5-[[(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
• Empirical Formula (Hill Notation): C₂₃H₂₁F₇N₄O₃
• CAS Number: 170729-80-3
• Molecular Weight: 534.43
• MDL number: MFCD12912491

Properties

• Quality Level: 300
• grade: certified reference material; pharmaceutical secondary standard
• Agency: traceable to BP BP1138; traceable to USP 1041904
• CofA: current certificate can be downloaded
• packaging: pkg of 300 mg
• application(s): pharmaceutical
• SMILES string: FC1=CC=C([C@@H]([C@@H](O[C@H](C)C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)OCC3)N3CC4=NNC(N4)=O)C=C1
• 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
• InChI key: ATALOFNDEOCMKK-BYYRLHKVSA-N

Safety Information

• Storage Class Code: 13 - Non Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable