loading...| Preferred Name |
macitentan |
|
| Synonyms |
macitentanum macitentan ACT064992 ACT 064992 ACT-064992 OPSUMIT N-[5-(4-bromophenyl)-6-{2-[(5-bromopyrimidin-2-yl)oxy]ethoxy}pyrimidin-4-yl]-N'-propylsulfuric diamide |
|
| Definitions |
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. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_76607 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:23817130 PMID:23984728 Patent:US2008233188 PMID:23568224 PMID:24122797 PMID:22189899 Wikipedia:Macitentan PMID:23077657 CAS:441798-33-0 PMID:23900878 Reaxys:11340634 PMID:24261583 PMID:23353592 PMID:23830395 PMID:23192269 Patent:WO2008026156 Drug_Central:4809 PMID:24249746 PMID:23204120 PMID:23682110 PMID:23068290 PMID:22348175 Patent:WO2007119214 PMID:22525377 PMID:22862294 PMID:24122306 PMID:23997048 PMID:21403842 KEGG:D10135 PMID:22458347 PMID:24297706 PMID:22311911 |
|
| 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. |
|
| formula |
C19H20Br2N6O4S |
|
| has functional parent | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_51451 |
|
| has_exact_synonym |
N-[5-(4-bromophenyl)-6-{2-[(5-bromopyrimidin-2-yl)oxy]ethoxy}pyrimidin-4-yl]-N'-propylsulfuric diamide |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
macitentanum macitentan ACT064992 ACT 064992 ACT-064992 OPSUMIT |
|
| id |
CHEBI:76607 |
|
| in_subset | ||
| 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 |
|
| label |
macitentan |
|
| mass |
588.27300 |
|
| monoisotopicmass |
585.96335 |
|
| notation |
CHEBI:76607 |
|
| prefLabel |
macitentan |
|
| smiles |
CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1 |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_37141 http://purl.obolibrary.org/obo/CHEBI_39447 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_37141 http://purl.obolibrary.org/obo/CHEBI_39447 |