3-[(5E)-5-{[2-(3,4-Dimethylphenyl)-5-Methyl-3-Oxo-2,3-Dihydro-1H-Pyrazol-4-Yl]Hydrazono}-6-Oxo-1,3-Cyclohexadien-1-Yl]Benzoic Acid

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Properties Simple | Detailed

Formula C25H22N4O4
IUPAC Name carbon dioxide; 2-(3,4-dimethylphenyl)-5-methyl-4-[(2e)-2-(6-oxo-5-phenyl-cyclohexa-2,4-dien-1-ylidene)hydrazino]pyrazole-1,2-diium-3-one
Molecular Mass 442.467 g·mol−1
Heat of Formation -99.4 ± 16.7 kJ·mol−1
Dipole Moment 5.30 ± 1.08 D
Volume 509.62 Å 3
Surface Area 455.94 Å 2
HOMO Energy -8.35 ± 0.55 eV
LUMO Energy -1.75 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(5e)-5-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-2h-pyrazol-4-yl]hydrazinylidene]-6-oxo-1-cyclohexa-1,3-dienyl]benzoic acid
  • 3-[(5e)-5-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-2h-pyrazol-4-yl]hydrazono]-6-oxo-1-cyclohexa-1,3-dienyl]benzoic acid
  • 3-[(5e)-5-[[1-(3,4-dimethylphenyl)-5-keto-3-methyl-2h-pyrazol-4-yl]hydrazono]-6-keto-1-cyclohexa-1,3-dienyl]benzoic acid
  • eltrombopag
  • promacta
  • revolade
  • sb-497115
  • sb-497115-gr
InChIKey TYEXNVNUZXJNBN-YYADALCUSA-N
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