![APREPITANT](/Private/g3/M00/03/2C/CgAH512z6_2ALiYuAAAMmfj9vv0779.gif)
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Name: Aprepitant CAS#: 170729-80-3 Chemical Formula: C23H21F7N4O3 Exact Mass: 534.1502 Molecular Weight: 534.43 Elemental Analysis: C, 51.69; H, 3.96; F, 24.88; N, 10.48; O, 8.98 |
Technical Information |
Synonym: L754030; L-754030; L 754030; MK0869; MK 0869; MK-0869; ONO7436; ONO-7436; ONO 7436; Aprepitant; trade name: Emend IUPAC/Chemical Name: 5-(((2R, 3S)-2-((R)-1-(3, 5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1H-1, 2, 4-triazol-3(2H)-one InChi Key: ATALOFNDEOCMKK-OITMNORJSA-N InChi Code: 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 SMILES Code: O=C1NNC(CN2[CH](C3=CC=C(F)C=C3)[CH](O[CH](C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)C)OCC2)=N1 |