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CHEBI:90844 - selexipag
| Formula | C26H32N4O4S |
| Net Charge | 0 |
| Average Mass | 496.633 |
| Monoisotopic Mass | 496.21443 |
| SMILES | CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1 |
| InChI | InChI=1S/C26H32N4O4S/c1-20(2)30(16-10-11-17-34-19-24(31)29-35(3,32)33)23-18-27-25(21-12-6-4-7-13-21)26(28-23)22-14-8-5-9-15-22/h4-9,12-15,18,20H,10-11,16-17,19H2,1-3H3,(H,29,31) |
| InChIKey | QXWZQTURMXZVHJ-UHFFFAOYSA-N |
| Wikipedia |
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| Roles Classification |
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| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: | prostacyclin receptor agonist An agonist that binds to and activates prostacyclin receptors |
| Applications: | vasodilator agent A drug used to cause dilation of the blood vessels. anticoagulant An agent that prevents blood clotting. prodrug A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug. platelet aggregation inhibitor A drug or agent which antagonizes or impairs any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system. antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism. orphan drug Any drug that has been developed specifically for treatment of a rare medical condition, the condition itself being known as an orphan disease. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| selexipag (CHEBI:90844) has functional parent ACT-333679 (CHEBI:90848) |
| selexipag (CHEBI:90844) has role anticoagulant (CHEBI:50249) |
| selexipag (CHEBI:90844) has role antihypertensive agent (CHEBI:35674) |
| selexipag (CHEBI:90844) has role orphan drug (CHEBI:71031) |
| selexipag (CHEBI:90844) has role platelet aggregation inhibitor (CHEBI:50427) |
| selexipag (CHEBI:90844) has role prodrug (CHEBI:50266) |
| selexipag (CHEBI:90844) has role prostacyclin receptor agonist (CHEBI:90845) |
| selexipag (CHEBI:90844) has role vasodilator agent (CHEBI:35620) |
| selexipag (CHEBI:90844) is a N-sulfonylcarboxamide (CHEBI:90852) |
| selexipag (CHEBI:90844) is a aromatic amine (CHEBI:33860) |
| selexipag (CHEBI:90844) is a dialkylarylamine (CHEBI:23665) |
| selexipag (CHEBI:90844) is a ether (CHEBI:25698) |
| selexipag (CHEBI:90844) is a monocarboxylic acid amide (CHEBI:29347) |
| selexipag (CHEBI:90844) is a organic molecular entity (CHEBI:50860) |
| selexipag (CHEBI:90844) is a pyrazines (CHEBI:38314) |
| selexipag (CHEBI:90844) is a tertiary amino compound (CHEBI:50996) |
| IUPAC Name |
|---|
| 2-{4-[(5,6-diphenylpyrazin-2-yl)(propan-2-yl)amino]butoxy}-N-(methanesulfonyl)acetamide |
| INN | Source |
|---|---|
| selexipag | KEGG DRUG |
| Synonyms | Source |
|---|---|
| ACT 293987 | ChemIDplus |
| ACT-293987 | ChemIDplus |
| NS 304 | ChemIDplus |
| NS-304 | ChemIDplus |
| Brand Name | Source |
|---|---|
| Uptravi | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:11140227 | Reaxys |
| CAS:475086-01-2 | KEGG DRUG |
| CAS:475086-01-2 | ChemIDplus |
| Citations |
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