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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:macitentan
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Accession:CHEBI:76607 term browser browse the term
Definition:A member of the class of sulfamides in which the two amino groups of sulfonamide are substituted by 5-(4-bromophenyl)-6-{2-[(5-bromopyrimidin-2-yl)oxy]ethoxy}pyrimidin-4-yl and propyl groups. An orphan drug used for the treatment of pulmonary arterial hypertension.
Synonyms:exact_synonym: N-[5-(4-bromophenyl)-6-{2-[(5-bromopyrimidin-2-yl)oxy]ethoxy}pyrimidin-4-yl]-N'-propylsulfuric diamide
 related_synonym: ACT 064992;   ACT064992;   Formula=C19H20Br2N6O4S;   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;   OPSUMIT;   SMILES=CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1;   macitentanum
 xref: CAS:441798-33-0;   Drug_Central:4809;   KEGG:D10135
 xref_mesh: MESH:C533860
 xref: PMID:21403842;   PMID:22189899;   PMID:22311911;   PMID:22348175;   PMID:22458347;   PMID:22525377;   PMID:22862294;   PMID:23068290;   PMID:23077657;   PMID:23192269;   PMID:23204120;   PMID:23353592;   PMID:23568224;   PMID:23682110;   PMID:23817130;   PMID:23830395;   PMID:23900878;   PMID:23984728;   PMID:23997048;   PMID:24122306;   PMID:24122797;   PMID:24249746;   PMID:24261583;   PMID:24297706;   Patent:US2008233188;   Patent:WO2007119214;   Patent:WO2008026156;   Reaxys:11340634;   Wikipedia:Macitentan


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  CHEBI ontology 0
    role 0
      application 0
        solvent 0
          ethylene glycol 0
            macitentan 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      chalcogen 0
                        oxygen atom 0
                          oxygen molecular entity 0
                            hydroxides 0
                              oxoacid 0
                                chalcogen oxoacid 0
                                  sulfur oxoacid 0
                                    sulfuric acid 0
                                      sulfuric acid derivative 0
                                        sulfuric amide 0
                                          sulfamides 0
                                            ACT-132577 0
                                              macitentan 0
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