bosentan

Ligand id: 3494

Name: bosentan

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 154.03
Molecular weight 551.18
XLogP 5.26
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2001))
IUPAC Name
4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide
International Nonproprietary Names
INN number INN
7195 bosentan
Synonyms
RO 47-0203 | Tracleer®
Database Links
CAS Registry No. 147536-97-8 (source: Scifinder)
ChEMBL Ligand CHEMBL957
DrugBank Ligand DB00559
PubChem CID 104865
Search Google for chemical match using the InChIKey GJPICJJJRGTNOD-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GJPICJJJRGTNOD
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Search UniChem for chemical match using the InChIKey GJPICJJJRGTNOD-UHFFFAOYSA-N
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Wikipedia Bosentan
Comments
Bosentan is an endothelin receptor antagonist.