Chemical Compound

(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentaol (3-(((2R,3S)-2-((S)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-phenylmorpholino)methyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)phosphonic acid (2:1)

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(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentaol (3-(((2R,3S)-2-((S)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-phenylmorpholino)methyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)phosphonic acid (2:1) 结构式
Primary record

(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentaol (3-(((2R,3S)-2-((S)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-phenylmorpholino)methyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)phosphonic acid (2:1)

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
171379983
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=NN(C(=O)N3)P(=O)(O)O)C4=CC=CC=C4.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
Canonical SMILES
CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.C[C@H](O[C@H]1OCCN(Cc2nn(P(=O)(O)O)c(=O)[nH]2)[C@H]1c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

名称与同义词

  • Fosaprepitant Impurity 50
  • (1'S,2R,3S)-Defluoro Fosaprepitant Dimeglumine
  • N0001-011490
  • (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentaol (3-(((2R,3S)-2-((S)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-phenylmorpholino)methyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)phosphonic acid (2:1)