loading...| Preferred Name |
bosentan |
|
| Synonyms |
4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl]benzenesulfonamide 4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-(2,2'-bipyrimidin)-4-yl) benzenesulfornamide bosentanum bosentan p-tert-Butyl-N-(6-(2-hydroxyethoxy)-5-(o-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl)benzenesulfonamide |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_51450 |
|
| charge |
0 |
|
| database_cross_reference |
Drug_Central:392 DrugBank:DB00559 Wikipedia:Bosentan CAS:147536-97-8 Patent:US2986573 KEGG:D07538 LINCS:LSM-5825 |
|
| formula |
C27H29N5O6S |
|
| has role | ||
| has_exact_synonym |
4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl]benzenesulfonamide |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-(2,2'-bipyrimidin)-4-yl) benzenesulfornamide bosentanum bosentan p-tert-Butyl-N-(6-(2-hydroxyethoxy)-5-(o-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl)benzenesulfonamide |
|
| id |
CHEBI:51450 |
|
| in_subset | ||
| 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 |
|
| label |
bosentan |
|
| mass |
551.61526 |
|
| monoisotopicmass |
551.18385 |
|
| notation |
CHEBI:51450 |
|
| prefLabel |
bosentan |
|
| smiles |
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCO)-c1ncccn1 |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_35358 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35358 |