Preferred Name |
Macitentan |
|
Synonyms |
macitentanum ACT 064992 ACT-064992 ACT064992 OPSUMIT macitentan 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 |
|
alternative label |
macitentanum ACT 064992 ACT-064992 ACT064992 OPSUMIT macitentan N-[5-(4-bromophenyl)-6-{2-[(5-bromopyrimidin-2-yl)oxy]ethoxy}pyrimidin-4-yl]-N'-propylsulfuric diamide |
|
charge |
0 |
|
database_cross_reference |
PMID:22862294 PMID:22458347 Patent:WO2008026156 KEGG:D10135 PMID:24122306 PMID:23984728 PMID:24297706 PMID:23568224 PMID:22311911 CAS:441798-33-0 PMID:23682110 PMID:23900878 PMID:23353592 Wikipedia:Macitentan Patent:WO2007119214 PMID:23817130 Patent:US2008233188 PMID:22525377 PMID:24122797 PMID:23077657 PMID:22348175 Reaxys:11340634 PMID:23192269 PMID:21403842 PMID:23204120 PMID:22189899 PMID:24261583 PMID:23997048 PMID:24249746 PMID:23830395 PMID:23068290 Drug_Central:4809 |
|
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 ACT 064992 ACT-064992 ACT064992 OPSUMIT macitentan |
|
has_RxCUI |
1442132 |
|
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 macitentan |
|
mass |
588.27300 |
|
monoisotopicmass |
585.96335 |
|
notation |
CHEBI:76607 |
|
prefLabel |
Macitentan |
|
smiles |
CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1 |
|
subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_37141 http://purl.obolibrary.org/obo/CHEBI_39447 |