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Chemistry, part 1

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Concept information

organobromine compound > macitentan
organic aromatic compound > aromatic ether > macitentan
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > diazines > pyrimidines > macitentan
organic heterocyclic compound > organonitrogen heterocyclic compound > diazines > pyrimidines > macitentan
organic heterocyclic compound > organic heteromonocyclic compound > diazines > pyrimidines > macitentan
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > ring assembly > macitentan
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoacid derivative > sulfuric acid derivative > sulfuric amide > sulfamides > macitentan
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfuric acid derivative > sulfuric amide > sulfamides > macitentan

Preferred term

macitentan  

Type

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

Broader concept

charge

  • 0

formula

  • C19H20Br2N6O4S

has_functional_parent

has_role

inchi

  • InChI=1S/C19H20Br2N6O4S/c1-2-7-26-32(28,29)27-17-16(13-3-5-14(20)6-4-13)18(25-12-24-17)30-8-9-31-19-22-10-15(21)11-23-19/h3-6,10-12,26H,2,7-9H2,1H3,(H,24,25,27)

inchikey

  • JGCMEBMXRHSZKX-UHFFFAOYSA-N

mass

  • 588.27300

monoisotopicmass

  • 585.96335

smiles

  • CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1

subset

  • 3_STAR

synonym EXACT

  • N-[5-(4-bromophenyl)-6-{2-[(5-bromopyrimidin-2-yl)oxy]ethoxy}pyrimidin-4-yl]-N'-propylsulfuric diamide

synonym RELATED

  • ACT 064992
  • ACT-064992
  • ACT064992
  • macitentan
  • macitentanum
  • OPSUMIT

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:76607

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