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Home >> Chemical Listing >> B >> 5-[[(2R,3R)-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

5-[[(2R,3R)-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
[CAS# 1148113-53-4]

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Identification
Name 5-[[(2R,3R)-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
Synonyms Aprepitant Related Compound A
Molecular Structure CAS # 1148113-53-4, 5-[[(2R,3R)-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 Related Compound A
Molecular Formula C23H21F7N4O3
Molecular Weight 534.43
CAS Registry Number 1148113-53-4
EC Number 807-170-2
Properties
Solubility Insoluble (1.1E-4 g/L) (25 ºC), Calc.*
Density 1.51±0.1 g/cm3 (20 ºC 760 Torr), Calc.*
* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (©1994-2014 ACD/Labs)
Safety Data
Hazard Classification
up    Details
HazardClassCategory CodeHazard Statement
Chronic hazardous to the aquatic environmentAquatic Chronic4H413
Acute toxicityAcute Tox.4H302
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Related Products
(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol  (S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol  (2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl)ethoxy]-3-(4-fluorophenyl)morpholine  [2R-[2aR*),3a]-2-[1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine  (2S,3R)-2-[(1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine  (2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine hydrochloride  (2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine 4-methylbenzenesulfonate  5-(((2S,3S)-2-((S)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1H-1,2,4-triazol-3(2H)-one  5-(((2R,3R)-2-((S)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1H-1,2,4-triazol-3(2H)-one  [3-[[(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-2,5-dihydro-5-oxo-1H-1,2,4-triazol-1-yl]phosphonic acid mono(phenylmethyl) ester  [2S-[2alpha(S*),3beta]]-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  5-[[(2S,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-1,2,4-triazol-3-one  [3,5-Bis(trifluoromethyl)phenyl]ethoxy]-1-formyl-1-phenylethyl]carbamic acid phenylmethyl ester  (alphaS)-alpha-[[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]methyl]-alpha-ethenylbenzenemethanamine monomaleate  (2S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-4-(phenylmethyl)-3-morpholinone  5-[[(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-phenyl-4-morpholinyl]methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one  (R)-1-[3,5-Bis(trifluoromethyl)phenyl)ethylamine  (S)-1-[3,5-Bis(trifluoromethyl)phenyl)ethylamine  (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethylamine hydrochloride  (S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethylamine hydrochloride