Sumatriptan

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Properties Simple | Detailed

Formula C14H21N3O2S
IUPAC Name 1-[3-[2-(dimethylamino)ethyl]indol-1-ium-5-yl]-n-methyl-methanesulfonamide
Molecular Mass 295.400 g·mol−1
Heat of Formation -218.9 ± 16.7 kJ·mol−1
Dipole Moment 3.07 ± 1.08 D
Volume 357.96 Å 3
Surface Area 312.79 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy -0.09 ± eV
Point Group Symmetry C1
Synonyms
  • (3-[2-(dimethylamino)ethyl]-1h-indol-5-yl)-n-methylmethanesulfonamide
  • 1-[3-(2-dimethylaminoethyl)-1h-indol-5-yl]-n-methyl-methanesulfonamide
  • 1-[3-(2-dimethylaminoethyl)-1h-indol-5-yl]-n-methylmethanesulfonamide
  • 1-{3-[2-(dimethylamino)ethyl]-1h-indol-5-yl}-n-methylmethanesulfonamide
  • 1h-indole-5-methanesulfonamide, 3-(2-(dimethylamino)ethyl)-n-methyl-
  • 3-(2-(dimethylamino)ethyl)-n-methyl-1h-indole-5-methanesulfonamide
  • 3-[2-(dimethylamino)ethyl]-n-methylindole-5-methanesulfonamide
  • d00451
  • gr 43175
  • gr 43175x
  • ks-1116
  • sumatran
  • sumatriptan (jan/usp/inn)
  • sumax
CAS Number(s)
  • 103628-46-2
InChIKey KQKPFRSPSRPDEB-UHFFFAOYSA-N
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