(3-{[(2R,3S)-2-{(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)(5,5,6,6-²H₄)-4-morpholinyl]methyl}-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)phosphonic acid - 1-deoxy-1-(methylamin o)-D-glucitol (1:2)

More details:

• Systematic name

  (3-{[(2R,3S)-2-{(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)(5,5,6,6-~2~H_4_)-4-morpholinyl]methyl}-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)phosphonic acid - 1-deoxy-1-(methylamin o)-D-glucitol (1:2)

• SMILES

  [2H]C1([2H])N(CC2NC(=O)N(N=2)P(O)(O)=O)[C@H]([C@@H](O[C@H](C)C2C=C(C=C(C=2)C(F)(F)F)C(F)(F)F)OC1([2H])[2H])C1C=CC(F)=CC=1.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

• Std. InChi

  InChI=1S/C23H22F7N4O6P.2C7H17NO5/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)40-20-19(13-2-4-17(24)5-3-13)33(6-7-39-20)11-18-31-21(35)34(32-18)41(36,37)38;2*1-8-2-4(10)6(12)7(13)5(11)3-9/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H,31,32,35)(H2,36,37,38);2*4-13H,2-3H2,1H3/t12-,19+,20-;2*4-,5+,6+,7+/m100/s1/i6D2,7D2;;

• Std. InChIKey

  VRQHBYGYXDWZDL-JGYKJGSSSA-N

• Cite this record

  CSID:115010074, http://www.chemspider.com/Chemical-Structure.115010074.html (accessed 04:41, Jun 1, 2024)