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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > tertiary amino compound > tiagabine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > tertiary amino compound > tiagabine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > organosulfur heterocyclic compound > thiophenes > tiagabine
organic heterocyclic compound > organosulfur heterocyclic compound > thiophenes > tiagabine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > piperidines > piperidinemonocarboxylic acid > tiagabine
organic heterocyclic compound > organonitrogen heterocyclic compound > piperidines > piperidinemonocarboxylic acid > tiagabine
organic heterocyclic compound > organic heteromonocyclic compound > piperidines > piperidinemonocarboxylic acid > tiagabine
... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > piperidinemonocarboxylic acid > tiagabine
... > organooxygen compound > carbon oxoacid > carboxylic acid > monocarboxylic acid > piperidinemonocarboxylic acid > tiagabine
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > monocarboxylic acid > piperidinemonocarboxylic acid > tiagabine
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > monocarboxylic acid > piperidinemonocarboxylic acid > tiagabine
... > organooxygen compound > carbonyl compound > carboxylic acid > amino acid > non-proteinogenic amino acid > beta-amino acid > tiagabine
... > organooxygen compound > carbon oxoacid > carboxylic acid > amino acid > non-proteinogenic amino acid > beta-amino acid > tiagabine
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > amino acid > non-proteinogenic amino acid > beta-amino acid > tiagabine
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > amino acid > non-proteinogenic amino acid > beta-amino acid > tiagabine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > amino acid > non-proteinogenic amino acid > beta-amino acid > tiagabine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > amino acid > non-proteinogenic amino acid > beta-amino acid > tiagabine

Preferred term

tiagabine  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C20H25NO2S2

has_functional_parent

has_role

inchi

  • InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1

inchikey

  • PBJUNZJWGZTSKL-MRXNPFEDSA-N

is_conjugate_base_of

mass

  • 375.54800

monoisotopicmass

  • 375.13267

smiles

  • Cc1ccsc1C(=CCCN1CCC[C@H](C1)C(O)=O)c1sccc1C

subset

  • 3_STAR

synonym EXACT

  • (3R)-1-[4,4-bis(3-methyl-2-thienyl)but-3-en-1-yl]piperidine-3-carboxylic acid

synonym RELATED

  • (-)-(R)-1-(4,4-bis(3-methyl-2-thienyl)-3-butenyl)nipecotic acid
  • (-)-(R)-1-[4,4-bis(3-methyl-2-thienyl)-3-butenyl]nipecotic acid
  • (R)-(-)-1-[4,4-bis(3-methyl-2-thienyl)-3-butenyl]nipecotic acid
  • (R)-tiagabine
  • tiagabina
  • tiagabine
  • tiagabinum

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:9586

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