Deferasirox

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Properties Simple | Detailed

Formula C21H15N3O4
IUPAC Name 4-[(3e,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 -105.3 ± 16.7 kJ·mol−1
Dipole Moment 5.11 ± 1.08 D
Volume 415.2 Å 3
Surface Area 365.35 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -1.75 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(3e,5e)-3,5-bis(6-keto-1-cyclohexa-2,4-dienylidene)-1,2,4-triazolidin-1-yl]benzoic acid
  • cgp-72670
  • icl-670
  • icl-670a
InChIKey FMSOAWSKCWYLBB-MXWIWYRXSA-N
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