Lubeluzole

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Properties Simple | Detailed

Formula C22H25F2N3O2S
IUPAC Name (2s)-1-[4-[1,3-benzothiazol-2-yl(methyl)amino]-1-piperidyl]-3-(3,4-difluorophenoxy)propan-2-ol
Molecular Mass 433.515 g·mol−1
Heat of Formation -448.3 ± 16.7 kJ·mol−1
Dipole Moment 4.57 ± 1.08 D
Volume 517.27 Å 3
Surface Area 405.47 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-(s)-4-(2-benzothiazolylmethylamino)-alpha-((3,4-difluorophenoxy)methyl)-1-piperidineethanol
  • (2s)-1-[4-(1,3-benzothiazol-2-yl-methyl-amino)-1-piperidyl]-3-(3,4-difluorophenoxy)propan-2-ol
  • (2s)-1-[4-(1,3-benzothiazol-2-yl-methyl-amino)piperidin-1-yl]-3-(3,4-difluorophenoxy)propan-2-ol
  • (2s)-1-[4-(1,3-benzothiazol-2-yl-methylamino)-1-piperidinyl]-3-(3,4-difluorophenoxy)propan-2-ol
  • (2s)-1-[4-(1,3-benzothiazol-2-yl-methylamino)piperidin-1-yl]-3-(3,4-difluorophenoxy)propan-2-ol
  • 1-piperidineethanol, 4-(2-benzothiazolylmethylamino)-alpha-((3,4-difluorophenoxy)methyl)-, (s)-
  • d04789
  • jk-8792
  • lubeluzole (usan)
  • prosynap
  • r 87926
  • r-87926
CAS Number(s)
  • 144665-07-6
InChIKey OZFSWVOEXHGDES-INIZCTEOSA-N
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