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CHEBI:51450 - bosentan
| Formula | C27H29N5O6S |
| Net Charge | 0 |
| Average Mass | 551.625 |
| Monoisotopic Mass | 551.18385 |
| SMILES | COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO |
| InChI | InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32) |
| InChIKey | GJPICJJJRGTNOD-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Biological Role: | endothelin receptor antagonist A hormone antagonist that blocks endothelin receptors. |
| Applications: | endothelin receptor antagonist A hormone antagonist that blocks endothelin receptors. antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| bosentan (CHEBI:51450) has role antihypertensive agent (CHEBI:35674) |
| bosentan (CHEBI:51450) has role endothelin receptor antagonist (CHEBI:51451) |
| bosentan (CHEBI:51450) is a primary alcohol (CHEBI:15734) |
| bosentan (CHEBI:51450) is a pyrimidines (CHEBI:39447) |
| bosentan (CHEBI:51450) is a sulfonamide (CHEBI:35358) |
| Incoming Relation(s) |
| bosentan hydrate (CHEBI:31300) has part bosentan (CHEBI:51450) |
| IUPAC Name |
|---|
| 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl]benzenesulfonamide |
| INNs | Source |
|---|---|
| bosentan | WHO MedNet |
| bosentan | ChemIDplus |
| bosentán | WHO MedNet |
| bosentanum | WHO MedNet |
| Synonyms | Source |
|---|---|
| 4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-(2,2'-bipyrimidin)-4-yl) benzenesulfornamide | ChemIDplus |
| p-tert-Butyl-N-(6-(2-hydroxyethoxy)-5-(o-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl)benzenesulfonamide | ChemIDplus |