Chemical Compound

5-{[(2R,3S)-2-{(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-3-phenylmorpholino]methyl}-2H-1,2,4-triazol-3(4H)-one; Defluoro Aprepitant; Desfluoro Aprepitant

CAS Registry Number 170729-76-7
5-{[(2R,3S)-2-{(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-3-phenylmorpholino]methyl}-2H-1,2,4-triazol-3(4H)-one; Defluoro Aprepitant; Desfluoro Aprepitant 结构式
Primary record

5-{[(2R,3S)-2-{(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-3-phenylmorpholino]methyl}-2H-1,2,4-triazol-3(4H)-one; Defluoro Aprepitant; Desfluoro Aprepitant

库存
9,617 克
纯度
98.5 %
CAS
170729-76-7

化合物标识与属性

CAS
170729-76-7
PubChem CID
135547943
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=CC=C4
Canonical SMILES
C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

名称与同义词

  • Defluoro Aprepitant
  • Desfluoro aprepitant
  • 170729-76-7
  • Aprepitant EP Impurity A
  • I8ZN5S5LTS
  • Aprepitant Impurity 27
  • UNII-I8ZN5S5LTS
  • CHEMBL142819
  • SCHEMBL31355206
  • 2,4-Dibromo-1,5-naphthyridine
  • DTXSID20437718
  • C23H22F6N4O3
  • MFCD24386573
  • BDBM50067937
  • ZINC13781978
  • DESFLUORO APREPITANT [USP-RS]
  • 5-(((2R,3S)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-phenylmorpholino)methyl)-1H-1,2,4-triazol-3(2H)-one
  • CID10279452
  • CID 10279452
  • SY407940
  • DESFLUORO APREPITANT [USP IMPURITY]
  • APREPITANT IMPURITY A [EP IMPURITY]
  • LS-156478
  • CS-0113333
  • J1.059.638F
  • C15066
  • F551318
  • 3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylmorpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
  • B2694-466701
  • 5-(((2R,3S)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-phenylmorpholino)methyl)-2H-1,2,4-triazol-3(4H)-one
  • 3H-1,2,4-Triazol-3-one, 5-(((2R,3S)-2-((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-phenyl-4-morpholinyl)methyl)-1,2-dihydro-
  • 3-(((2R,3S)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-phenylmorpholino)methyl)-1H-1,2,4-triazol-5(4H)-one
  • 3-[[(2R)-2alpha-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3alpha-phenylmorpholino]methyl]-1H-1,2,4-triazole-5(4H)-one
  • 3-[[2alpha-[(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3alpha-phenylmorpholine-4-yl]methyl]-1H-1,2,4-triazole-5(4H)-one
  • 3-{[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylmorpholin-4-yl]methyl}-4,5-dihydro-1H-1,2,4-triazol-5-one
  • 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
  • 5-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenyl-morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one
  • 5-[[(2R,3S)-2-[(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-phenylmorpholino]methyl]-1H-1,2,4-triazol-3(2H)-one
  • 5-{(2R,3S)-2-[(R)-1-(3,5-Bis-trifluoromethyl-phenyl)-ethoxy]-3-phenyl-morpholin-4-ylmethyl}-2,4-dihydro-[1,2,4]triazol-3-one
  • 5-{[(2R,3S)-2-{(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-3-phenylmorpholin-4-yl]methyl}-1,2-dihydro-3H-1,2,4-triazol-3-one
  • 5-{[(2R,3S)-2-{(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-3-phenylmorpholino]methyl}-2h-1,2,4-triazol-3(4h)-one
  • 5-{[(2R,3S)-2-{(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-3-phenylmorpholino]methyl}-2H-1,2,4-triazol-3(4H)-one; Defluoro Aprepitant; Desfluoro Aprepitant
  • 50786-36-2