Ketotifen

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Properties Simple | Detailed

Formula C19H19NOS
IUPAC Name 10-(1-methyl-4-piperidylidene)-5h-benzo[1,2]cyclohepta[2,4-b]thiophen-4-one
Molecular Mass 309.425 g·mol−1
Heat of Formation 81.9 ± 16.7 kJ·mol−1
Dipole Moment 3.40 ± 1.08 D
Volume 374.5 Å 3
Surface Area 312.77 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • 10h-benzo(4,5)cyclohepta(1,2-b)thiophen-10-one, 4,9-dihydro-4-(1-methyl-4-piperidinylidene)-
  • 10h-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one, 4,9-dihydro-4-(1-methyl-4-piperidinylidene)-
  • 10h-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one, 4,9-dihydro-4-(1-methyl-4-piperidinylidene)-, (2e)-2-butenedioate (1:1)
  • 34580-13-7 (free base)
  • 4,9-dihydro-4-(1-methyl-4-piperidinylidene)-10h-benzo(4,5)cyclohepta(1,2-b)thiophen-10-one
  • 4-(1-methyl-4-piperidylidene)-9-hydrobenzo[a]thiopheno[3,2-d][7]annulen-10-one
  • 4-(1-methyl-piperidin-4-ylidene)-4,9-dihydro-1-thia-benzo[f]azulen-10-one
  • 4-(1-methylpiperidin-4-ylidene)-4,9-dihydro-10h-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one
  • bas 00444483
  • bpbio1_000575
  • hc 20-511
  • oprea1_335550
  • oprea1_553550
  • stock1s-14132
  • tocris-0784
CAS Number(s)
  • 34580-13-7
InChIKey ZCVMWBYGMWKGHF-UHFFFAOYSA-N
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