Solabegron
3-[3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethylamino]phenyl]benzoic acid
Molecular Identity
Solabegron
3-[3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethylamino]phenyl]benzoic acid
PubChem CID: 9887812
Solabegron is a carboxybiphenyl that is [biphenyl]-3-carboxylic acid carrying a (2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}ethyl)nitrilo group at the 3' position. A selective beta3-adrenergic receptor agonist currently in clinical development for the treatment of overactive bladder and irritable bowel syndrome. It has a role as a beta-adrenergic agonist. It is a carboxybiphenyl, a secondary alcohol, a substituted aniline, a secondary amino compound and a member of monochlorobenzenes.
2D Structure
Properties
C23H23ClN2O3
Molecular Formula
410.90
Molecular Weight
g/mol
410.1397
Exact Mass
Da
1.8
XLogP
Drug-like (Lipinski: < 5)
81.6
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
5
H-Bond Acceptors
507
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Solabegron252920-94-8(R)-3'-((2-((2-(3-Chlorophenyl)-2-hydroxyethyl)amino)ethyl)amino)-[1,1'-biphenyl]-3-carboxylic acidGW427353solabegronumGW 42735355P6YH9O6N3-[3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethylamino]phenyl]benzoic acidGW-427353CHEBI:141346DTXSID50179932(1,1'-Biphenyl)-3-carboxylic acid, 3'-((2-(((2R)-2-(3-chlorophenyl)-2-hydroxyethyl)amino)ethyl)amino)-3'-[(2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}ethyl)amino]-[1,1'-biphenyl]-3-carboxylic acid(R)-3'-((2-((2-(3-chlorophenyl)-2-hydroxyethyl)amino)ethyl)amino)-(1,1'-biphenyl)-3-carboxylic acid3-(3-(2-(((2R)-2-(3-chlorophenyl)-2-hydroxyethyl)amino)ethylamino)phenyl)benzoic acid
Data from PubChem (NCBI)
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