Deferasirox

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Properties Simple | Detailed

Formula C21H15N3O4
IUPAC Name 4-[(3z,5e)-3,5-bis(6-oxo-1-cyclohexa-2,4-dienylidene)-1,2,4-triazolidin-1-yl]benzoic acid
Molecular Mass 373.362 g·mol−1
Heat of Formation -119.3 ± 16.7 kJ·mol−1
Dipole Moment 2.78 ± 1.08 D
Volume 414.88 Å 3
Surface Area 366.51 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -1.77 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(3,5-bis-(hydroxy-phenyl)-1,2,4)triazol-1-yl)-benzoic acid
  • 4-[(3z,5e)-3,5-bis(6-keto-1-cyclohexa-2,4-dienylidene)-1,2,4-triazolidin-1-yl]benzoic acid
  • d03669
  • deferasirox (jan/usan)
  • exjade
  • icl 670
  • icl670
  • icl670a
CAS Number(s)
  • 201530-41-8
InChIKey FMSOAWSKCWYLBB-VBGLAJCLSA-N
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