Tanaproget

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Formula C16H15N3OS
IUPAC Name 5-(4,4-dimethyl-2-thioxo-1h-3,1-benzoxazin-6-yl)-1-methyl-3h-pyrrol-1-ium-3-ide-2-carbonitrile
Molecular Mass 297.375 g·mol−1
Heat of Formation 181.7 ± 16.7 kJ·mol−1
Dipole Moment 1.32 ± 1.08 D
Volume 356.35 Å 3
Surface Area 317.09 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -1.11 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-pyrrole-2-carbonitrile, 5-(1,4-dihydro-4,4-dimethyl-2-thioxo-2h-3,1-benzoxazin-6-yl)-1-methyl-
  • 5-(4,4-dimethyl-2-thioxo-1,4-dihydro-2h-3,1-benzoxazin-6-yl)-1-methyl-1h-pyrrole-2-carbonitrile
  • d06003
  • nsp 989
  • nsp-989
  • t98
  • tanaproget (usan)
CAS Number(s)
  • 304853-42-7
InChIKey PYVFWTPEBMRKSR-UHFFFAOYSA-N
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