Iguratimod

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Properties Simple | Detailed

Formula C17H14N2O6S
IUPAC Name n-[7-(methanesulfonamido)-4-oxo-6-phenoxy-chromen-3-yl]formamide
Molecular Mass 374.368 g·mol−1
Heat of Formation -694.5 ± 16.7 kJ·mol−1
Dipole Moment 3.23 ± 1.08 D
Volume 394.37 Å 3
Surface Area 352.77 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • 3-formylamino-7-methylsulfonylamino-6-phenoxy-4h-1-benzopyran-4-one
  • colvet
  • d01146
  • iguratimod (jan/inn)
  • kolbet
  • n-[4-keto-7-methanesulfonamido-6-(phenoxy)chromen-3-yl]formamide
  • n-[7-methanesulfonamido-4-oxo-6-(phenoxy)-3-chromenyl]formamide
  • t 614
CAS Number(s)
  • 123663-49-0
InChIKey ANMATWQYLIFGOK-UHFFFAOYSA-N
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