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Chemistry, part 1

Content language

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Concept information

organofluorine compound > nepicastat
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > primary amino compound > nepicastat
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > primary amino compound > nepicastat

Preferred term

nepicastat  

Type

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

Broader concept

charge

  • 0

formula

  • C14H15F2N3S

has_role

inchi

  • InChI=1S/C14H15F2N3S/c15-9-3-8-4-10(1-2-12(8)13(16)5-9)19-11(6-17)7-18-14(19)20/h3,5,7,10H,1-2,4,6,17H2,(H,18,20)/t10-/m0/s1

inchikey

  • YZZVIKDAOTXDEB-JTQLQIEISA-N

mass

  • 295.352

monoisotopicmass

  • 295.09547

smiles

  • N1C(N(C(=C1)CN)[C@@H]2CC3=C(C(=CC(=C3)F)F)CC2)=S

subset

  • 3_STAR

synonym EXACT

  • 5-(aminomethyl)-1-[(2S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3-dihydro-2H-imidazole-2-thione

synonym RELATED

  • nepicastat
  • nepicastatum
  • RS-25560-197
  • (S)-5-aminomethyl-1-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-dihydroimidazole-2-thione
  • SYN117

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:139334

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