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: CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)OCCO)OC4=CC=CC=C4OCIsomeric SMILES
SMILES: CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)OCCO)OC4=CC=CC=C4OCSynonyms(20)
Bosentan147536-97-8Tracleerbosentan anhydrousRo 47-0203bosentanumRo-47-0203Anhydrous bosentan4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamideDTXSID7046627p-tert-Butyl-N-(6-(2-hydroxyethoxy)-5-(o-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl)benzenesulfonamideXUL93R30K2Ro-47-0203/0294-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-(2,2'-bipyrimidin)-4-yl)benzenesulfornamideBenzenesulfonamide, 4-(1,1-dimethylethyl)-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-
Data from PubChem (NCBI)
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Drug Network
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