4-(Acetoxymethyl)-1-[(2R,3R)-2-(2,4-Difluorophenyl)-2,3-Dihydroxy-3-{2-Oxo-3-[4-(1H-Tetrazol-1-Yl)Phenyl]-1-Imidazolidinyl}Propyl]-1H-1,2,4-Triazol-4-Ium

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Properties Simple | Detailed

Formula C24H24F2N9O5+
IUPAC Name [1-[(2r,3r)-2-(2,4-difluorophenyl)-2,3-dihydroxy-3-[2-oxo-3-[4-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]propyl]-1,2,4-triazol-4-ium-4-yl]methyl acetate
Molecular Mass 556.501 g·mol−1
Heat of Formation 2380.8 ± 16.7 kJ·mol−1
Dipole Moment 11.31 ± 1.08 D
Volume 551.87 Å 3
Surface Area 470.59 Å 2
Point Group Symmetry C1
Synonyms
  • (1-{(2s,3r)-2-(2,4-difluorophenyl)-2,3-dihydroxy-3-[2-oxo-3-(4-(1,2,3,4-tetraazolyl)phenyl)imidazolidinyl]propyl}-1,2,4-triazol-4-yl)methyl acetate
  • [1-[(2r,3r)-2-(2,4-difluorophenyl)-2,3-dihydroxy-3-[2-oxo-3-[4-(1,2,3,4-tetrazol-1-yl)phenyl]imidazolidin-1-yl]propyl]-1,2,4-triazol-4-ium-4-yl]methyl ethanoate
  • acetic acid [1-[(2r,3r)-2-(2,4-difluorophenyl)-2,3-dihydroxy-3-[2-keto-3-[4-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]propyl]-1,2,4-triazol-4-ium-4-yl]methyl ester
  • acetic acid [1-[(2r,3r)-2-(2,4-difluorophenyl)-2,3-dihydroxy-3-[2-oxo-3-[4-(1-tetrazolyl)phenyl]-1-imidazolidinyl]propyl]-1,2,4-triazol-4-ium-4-yl]methyl ester
  • prodrug of tak-456
  • tak-457
InChIKey MOYVSZWJEDCYKH-VWNXMTODSA-N
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