Chemical Compound

3H-1,2,4-Triazol-3-one, 5-[[(2S,3R)-2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-; ent-Aprepitant; Aprepitant Related Compound B (USP); 3-[[(2S,3R)-2-[(S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholino]methyl]-1H-1,2,4-triazol-5(4H)-one; 3H-1,2,4-Triazol-3-one, 5-[[2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-, [2S-[2alpha(R*),3alpha]]-; Aprepitant Related Compound B

CAS Registry Number 172822-29-6
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3H-1,2,4-Triazol-3-one, 5-[[(2S,3R)-2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-; ent-Aprepitant; Aprepitant Related Compound B (USP); 3-[[(2S,3R)-2-[(S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholino]methyl]-1H-1,2,4-triazol-5(4H)-one; 3H-1,2,4-Triazol-3-one, 5-[[2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-, [2S-[2alpha(R*),3alpha]]-; Aprepitant Related Compound B 结构式
Primary record

3H-1,2,4-Triazol-3-one, 5-[[(2S,3R)-2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-; ent-Aprepitant; Aprepitant Related Compound B (USP); 3-[[(2S,3R)-2-[(S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholino]methyl]-1H-1,2,4-triazol-5(4H)-one; 3H-1,2,4-Triazol-3-one, 5-[[2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-, [2S-[2alpha(R*),3alpha]]-; Aprepitant Related Compound B

库存
5,564 克
纯度
98.2 %
CAS
172822-29-6

化合物标识与属性

CAS
172822-29-6
PubChem CID
135934925
SMILES
C[C@@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@H]2[C@H](N(CCO2)CC3=NNC(=O)N3)C4=CC=C(C=C4)F
Canonical SMILES
C[C@H](O[C@@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

名称与同义词

  • ent-Aprepitant
  • Emend
  • Aprepitant Impurity M
  • Aprepitant Impurity 4
  • UNII-CV944ASG28
  • CV944ASG28
  • 172822-29-6
  • 1S,2S,3R Aprepitant
  • RefChem:200785
  • Aprepitant - MK-0869
  • APREPITANT, (-)-
  • Aprepitant Related Compound B
  • Aprepitant related compound B [USP]
  • DTXSID40571744
  • ATALOFNDEOCMKK-KNMUDHKVSA-N
  • C23H21F7N4O3
  • Aprepitant related compound B (USP)
  • MK-869
  • MK0869
  • ZINC59125344
  • AKOS025149369
  • ACN-047982
  • FE22679
  • APREPITANT RELATED COMPOUND B [USP-RS]
  • J1.209.328D
  • APREPITANT RELATED COMPOUND B (USP-RS)
  • APREPITANT RELATED COMPOUND B [USP IMPURITY]
  • A899423
  • APREPITANT RELATED COMPOUND B (USP IMPURITY)
  • L-754030
  • 3-[[(2S,3R)-2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
  • 3H-1,2,4-Triazol-3-one, 5-(((2S,3R)-2-((1S)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)-4-morpholinyl)methyl)-1,2-dihydro-
  • 5-(((2S,3R)-2-((1S)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)-4-morpholinyl)methyl)-1,2-dihydro-3H-1,2,4-triazol-3-one
  • 3-(((2S,3R)-2-((S)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1H-1,2,4-triazol-5(4H)-one
  • 5-(((2S,3R)-2-((S)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1,2-dihydro-3H-1,2,4-triazol-3-one
  • [2S-[2|A(R*),3|A]]-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
  • [2S-[2a(R*),3a]]-5-[[2-[1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-d
  • 3-[[(2S,3R)-2-[(S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholino]methyl]-1H-1,2,4-triazol-5(4H)-one
  • 3-[[(2S,3R)-2-[(S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholino]methyl]-1H-1,2,4-triazol-5(4H)-one ((S,R,S)-Aprepitant)
  • 3-[[(2S,3R)-2-[[(alphaS)-alpha-Methyl-3,5-bis(trifluoromethyl)benzyl]oxy]-3-(4-fluorophenyl)morpholine-4-yl]methyl]-1H-1,2,4-triazole-5(4H)-one
  • 3-[[2beta-[(S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3beta-(4-fluorophenyl)morpholine-4-yl]methyl]-1H-1,2,4-triazole-5(4H)-one
  • 3-[2beta-[(S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3beta-(4-fluorophenyl)morpholine-4-ylmethyl]-1H-1,2,4-triazole-5(4H)-one
  • 3-{[(2S,3R)-2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl}-4,5-dihydro-1H-1,2,4-triazol-5-one
  • 3H-1,2,4-Triazol-3-one, 5-[[(2S,3R)-2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-; ent-Aprepitant; Aprepitant Related Compound B (USP); 3-[[(2S,3R)-2-[(S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholino]methyl]-1H-1,2,4-triazol-5(4H)-one; 3H-1,2,4-Triazol-3-one, 5-[[2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-, [2S-[2alpha(R*),3alpha]]-; Aprepitant Related Compound B
  • 5-[[(2S,3R)-2-[(1S)-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-[(1S)-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-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one
  • 5-{[(2S,3R)-2-{(1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-1,2-dihydro-3H-1,2,4-triazol-3-one