CHEBI:51450 - bosentan

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ChEBI Name bosentan
ChEBI ID CHEBI:51450
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C27H29N5O6S
Net Charge 0
Average Mass 551.61526
Monoisotopic Mass 551.18385
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
SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCO)-c1ncccn1
Roles Classification
Biological Role(s): endothelin receptor antagonist
A hormone antagonist that blocks endothelin receptors.
Application(s): antihypertensive agent
Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
endothelin receptor antagonist
A hormone antagonist that blocks endothelin receptors.
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ChEBI Ontology
Outgoing 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 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 Sources
bosentán WHO MedNet
bosentan WHO MedNet
bosentan ChemIDplus
bosentanum WHO MedNet
Synonyms Sources
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
Manual Xrefs Databases
392 DrugCentral
Bosentan Wikipedia
D07538 KEGG DRUG
DB00559 DrugBank
LSM-5825 LINCS
US2986573 Patent
View more database links
Registry Number Type Source
147536-97-8 CAS Registry Number ChemIDplus
Last Modified
22 February 2017