APREPITANT ,170729-80-3 _Chemical Cloud Database

APREPITANT

Basic Information
Product Name：	APREPITANT
CAS：	170729-80-3
English Synonyms：	EMEND ; APREPITANT ; 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 ; 5-[2(R)-[1(R)-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHOXY]-3(S)-(4-FLUOROPHENYL)MORPHOLIN-4-YLMETHYL]-3,4-DIHYDRO-2H-1,2,4-TRIAZOL-3-ONE ; APREPITANT, 98+% ; 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 ; APREPITANT (MK-0869, L-754030) ; 5-[(2R,3S)-2-[(R)-1-(3,5-BIS-TRIFLUOROMETHYL-PHENYL)-ETHOXY]-3-(4-FLUORO-PHENYL)-MORPHOLIN-4-YLMETHYL]-2,4-DIHYDRO-[1,2,4]TRIAZOL-3-ONE ; 3-([(2R,3S)-2-[(1R)-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHOXY]-3-(4-FLUOROPHENYL)MORPHOLIN-4-YL]METHYL)-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-5-ONE ; MK-869
MDL Number.：	MFCD08277635
H bond acceptor：	7
H bond donor：	2
Smile：	C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)Cc3[nH][nH]c(=O)n3)c4ccc(cc4)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
InChiKey：	InChIKey=ATALOFNDEOCMKK-OITMNORJSA-N
Property
Boiling Point：	MP: 254-255 DEG C
Safety information

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