EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:51450 - bosentan

ChEBI IDCHEBI:51450
ChEBI Namebosentan
Stars
Last Modified22 February 2017
SubmitterInma Spiteri
DownloadsMolfile

FormulaC27H29N5O6S
Net Charge0
Average Mass551.625
Monoisotopic Mass551.18385
SMILESCOc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO
InChIInChI=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)
InChIKeyGJPICJJJRGTNOD-UHFFFAOYSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl]benzenesulfonamide
INNs  Source
bosentanChemIDplus
bosentanum  laWHO MedNet
bosentan  frWHO MedNet
bosentán  esWHO MedNet
Synonyms  Source
4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-(2,2'-bipyrimidin)-4-yl) benzenesulfornamideChemIDplus
p-tert-Butyl-N-(6-(2-hydroxyethoxy)-5-(o-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl)benzenesulfonamideChemIDplus
Manual XrefsDatabases
DB00559DrugBank
D07538KEGG DRUG
US2986573Patent
BosentanWikipedia
LSM-5825LINCS
392DrugCentral
Registry NumbersSources
CAS:147536-97-8ChemIDplus