Bosentan
4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide
Molecular Identity
Bosentan
4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide
PubChem CID: 104865
Bosentan is a primary alcohol, a sulfonamide and a member of pyrimidines. It has a role as an antihypertensive agent and an endothelin receptor antagonist.
2D Structure
Properties
C27H29N5O6S
Molecular Formula
551.60
Molecular Weight
g/mol
551.1839
Exact Mass
Da
3.8
XLogP
Drug-like (Lipinski: < 5)
154
TPSA
May have limited oral absorption
2
H-Bond Donors
11
H-Bond Acceptors
839
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Bosentan147536-97-8Tracleerbosentan anhydrousRo 47-0203bosentanumRo-47-0203Anhydrous bosentanp-tert-Butyl-N-(6-(2-hydroxyethoxy)-5-(o-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl)benzenesulfonamide4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamideBenzenesulfonamide, 4-(1,1-dimethylethyl)-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-XUL93R30K2DTXSID7046627Ro-47-0203/0294-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-(2,2'-bipyrimidin)-4-yl)benzenesulfornamide
Data from PubChem (NCBI)
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Drug Network
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