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Chemistry, part 1

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Concept information

organofluorine compound > ticagrelor
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > organic sulfide > aryl sulfide > ticagrelor
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > secondary amino compound > ticagrelor
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > secondary amino compound > ticagrelor
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > triazolopyrimidines > ticagrelor
organic heterocyclic compound > organonitrogen heterocyclic compound > triazolopyrimidines > ticagrelor
organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > triazolopyrimidines > ticagrelor

Preferred term

ticagrelor  

Type

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

Broader concept

charge

  • 0

formula

  • C23H28F2N6O4S

has_role

inchi

  • InChI=1S/C23H28F2N6O4S/c1-2-7-36-23-27-21(26-15-9-12(15)11-3-4-13(24)14(25)8-11)18-22(28-23)31(30-29-18)16-10-17(35-6-5-32)20(34)19(16)33/h3-4,8,12,15-17,19-20,32-34H,2,5-7,9-10H2,1H3,(H,26,27,28)/t12-,15+,16+,17-,19-,20+/m0/s1

inchikey

  • OEKWJQXRCDYSHL-FNOIDJSQSA-N

mass

  • 522.56800

monoisotopicmass

  • 522.18608

smiles

  • CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1

subset

  • 3_STAR

synonym EXACT

  • (1S,2S,3R,5S)-3-[7-{[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino}-5-(propylsulfanyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol

synonym RELATED

  • (1S,2S,3R,5S)-3-(7-((1R,2S)-2-(3,4-Difluorophenyl)cyclopropylamino)-5-(propylthio)-3H-(1,2,3)triazolo(4,5-d)pyrimidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
  • AZD 6140
  • AZD-6140
  • AZD6140
  • Brilinta
  • ticagrelor

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68558

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