Lidorestat Anhydrous

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Properties Simple | Detailed

Formula C18H12F3N2O2S
IUPAC Name 2-[3-[(4,5,7-trifluoro-6h-1,3-benzothiazol-3-ium-6-id-2-yl)methyl]indol-1-ium-3a-id-1-yl]acetic acid
Molecular Mass 377.360 g·mol−1
Heat of Formation -547.3 ± 16.7 kJ·mol−1
Dipole Moment 5.88 ± 1.08 D
Volume 397.12 Å 3
Surface Area 342.29 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -1.30 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-indole-1-acetic acid, 3-((4,5,7-trifluoro-2-benzothiazolyl)methyl)-, monohydrate
  • 2-[3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-1-indolyl]acetic acid
  • 2-[3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]indol-1-yl]acetic acid
  • 2-[3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]indol-1-yl]ethanoic acid
  • 3-((4,5,7-triflurobenzothiazol-2-yl)methyl)-1h-indol-1-yl)acetic acid, monohydrate
  • 3-[(4,5,7-trifluorobenzothiazol-2-yl)methyl]indole-n-acetic acid
  • 3na
  • idd-676
  • {3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-1h-indol-1-yl}acetic acid
CAS Number(s)
  • 245116-90-9
InChIKey KYHVTMFADJNSGS-UHFFFAOYSA-N
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