Tiagabine

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Properties Simple | Detailed

Formula C20H25NO2S2
IUPAC Name (1r,3r)-1-[4,4-bis(3-methyl-2-thienyl)but-3-enyl]piperidine-3-carboxylic acid
Molecular Mass 375.548 g·mol−1
Heat of Formation -226.1 ± 16.7 kJ·mol−1
Dipole Moment 2.01 ± 1.08 D
Volume 466.58 Å 3
Surface Area 390.34 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-(r)-1-(4,4-bis(3-methyl-2-thienyl)-3-butenyl)nipecotic acid
  • (3r)-1-[4,4-bis(3-methyl-2-thienyl)but-3-en-1-yl]piperidine-3-carboxylic acid
  • (3r)-1-[4,4-bis(3-methyl-2-thienyl)but-3-enyl]-3-piperidinecarboxylic acid
  • (3r)-1-[4,4-bis(3-methyl-2-thienyl)but-3-enyl]nipecotic acid
  • (3r)-1-[4,4-bis(3-methyl-2-thienyl)but-3-enyl]piperidine-3-carboxylic acid
  • (3r)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid
  • 3-piperidinecarboxylic acid, 1-(4,4-bis(3-methyl-2-thienyl)-3-butenyl)-, (r)-
CAS Number(s)
  • 115103-54-3
InChIKey PBJUNZJWGZTSKL-MRXNPFEDSA-N
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