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  2. 171482-05-6
(2R,3S)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)-ethoxy)-3-(4-fluorophenyl)morpholine hydrochloride | 171482-05-6

Product name:(2R,3S)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)-ethoxy)-3-(4-fluorophenyl)morpholine hydrochloride

CAS No:171482-05-6
MF:C20H19ClF7NO2
MW:473.8122
MDL:MFCD22689159
CID:111395
PubChem ID:10116311
Names and Identifiers
  • (2R,3S)-2-((R)-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 hydrochloride (1:1)
  • APREPITANT INTERMEDIATES
  • Aprepitant HCl
  • (2R,3S)-2-((R)-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 hydrochloride
  • (2R,3S)-2-{(1R)-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHOXY}-3-(4-FLUOROPHENYL)MORPHOLINE HYDROCHLORIDE
  • Morpholine,2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-,hydrochloride...
  • Aprepitant Impurity 14
  • Aprepitant intermediate
  • Aprepitant M2 Matabolite
  • Aprepitant Stage-II (Impurity-A)
  • Aprepitant Impurity 1 Enantiomer HCl
  • (2R, 3S)-2-(1R)-1-(3, 5-BIS (TRIFLUOROMETHYL)-3-(4-FLUOROPHENYL) MORPHOLINE HYDROCHLORIDE
  • (2R,3S)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)-ethoxy)-3-(4-fluorophenyl)morpholine hydroch
  • 2R 3S)-2-(1R)-1-3,5-Bis(Trifluoromethyl)Phenyl)Ethoxy)-3-(4Fluoropheny)Morpholine Hydrochloride
  • API0005691
  • RL02205
  • LS30277
  • AM84603
  • (2R,3S)-2-[(1R)-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHOXY]-3-(4-FLUOROPHENYL)MORPHOLINE HYDROCHLORIDE
  • s10990
  • (2R,3S)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholinehydrochloride
  • Morpholine,2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-,hydrochloride, (2R,3S)-
  • AKOS015999565
  • (2R,3S)-2-{(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholine--hydrogen chloride (1/1)
  • AC-25506
  • DS-17845
  • AKOS015995122
  • SCHEMBL14890138
  • (2R,3S)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholine HCl
  • J-500977
  • DTXSID10435824
  • (2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine
  • hydrochloride
  • A850791
  • 171482-05-6
  • C20H19ClF7NO2
  • CS-0158204
  • MDL:MFCD22689159
  • InChIKey:DWCCMKXSGCKMJF-YNXGUESPSA-N
  • Inchi:1S/C20H18F7NO2.ClH/c1-11(13-8-14(19(22,23)24)10-15(9-13)20(25,26)27)30-18-17(28-6-7-29-18)12-2-4-16(21)5-3-12;/h2-5,8-11,17-18,28H,6-7H2,1H3;1H/t11-,17+,18-;/m1./s1
  • SMILES:Cl[H].FC1C([H])=C([H])C(=C([H])C=1[H])[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])[H])C2C([H])=C(C(F)(F)F)C([H])=C(C(F)(F)F)C=2[H])OC([H])([H])C([H])([H])N1[H]
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 473.8g/mol
  • Surface Charge: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 10
  • Rotatable Bond Count: 4
  • Monoisotopic Mass: 473.099254g/mol
  • Monoisotopic Mass: 473.099254g/mol
  • Topological Polar Surface Area: 30.5Ų
  • Heavy Atom Count: 31
  • Complexity: 526
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 2
  • XLogP3: nothing
  • Tautomer Count: nothing
  • Surface Charge: 0

Experimental Properties

  • LogP: 6.75890
  • PSA: 30.49000
Security Information
  • Hazard Statement:H302-H315-H319-H335
  • Warning Statement:P261-P305+P351+P338
  • Storage Condition:Inert atmosphere,Room Temperature(BD221324)
  • Signal Word:Warning
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