Metamizole

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Properties Simple | Detailed

Formula C13H17N3O4S
IUPAC Name [(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-methyl-amino]methanesulfonic acid
Molecular Mass 311.357 g·mol−1
Heat of Formation -438.7 ± 16.7 kJ·mol−1
Dipole Moment 3.02 ± 1.08 D
Volume 349.7 Å 3
Surface Area 306.07 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy 2.67 ± eV
Point Group Symmetry C1
Synonyms
  • [(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazol-4-yl)(methyl)amino]methanesulfonic acid
  • [(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-methylamino]methanesulfonic acid
  • [(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-methyl-amino]methanesulfonic acid
  • [(3-keto-1,5-dimethyl-2-phenyl-pyrazol-4-yl)-methyl-amino]methanesulfonic acid
  • methanesulfonic acid, [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1h-pyrazol-4-yl)methylamino]-
InChIKey LVWZTYCIRDMTEY-UHFFFAOYSA-N
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