Solabegron hydrochlorideProduct ingredient for Solabegron
- Name
- Solabegron hydrochloride
- Drug Entry
- Solabegron
Solabegron (GW-427,353) is a selective β3 adrenoceptor agonist being developed for the treatment of overactive bladder and irritable bowel syndrome.
- Accession Number
- DBSALT001800
- Structure
Structure for Solabegron hydrochloride (DBSALT001800)
- Synonyms
- Solabegron HCl
- UNII
- GU14FR8D4A
- CAS Number
- 451470-34-1
- Weight
- Average: 447.36
Monoisotopic: 446.116398 - Chemical Formula
- C23H24Cl2N2O3
- InChI Key
- PMXCGBVBIRYFPR-FTBISJDPSA-N
- InChI
- InChI=1S/C23H23ClN2O3.ClH/c24-20-8-2-6-18(13-20)22(27)15-25-10-11-26-21-9-3-5-17(14-21)16-4-1-7-19(12-16)23(28)29;/h1-9,12-14,22,25-27H,10-11,15H2,(H,28,29);1H/t22-;/m0./s1
- IUPAC Name
- 3'-[(2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}ethyl)amino]-[1,1'-biphenyl]-3-carboxylic acid hydrochloride
- SMILES
- Cl.O[C@@H](CNCCNC1=CC(=CC=C1)C1=CC(=CC=C1)C(O)=O)C1=CC(Cl)=CC=C1
- External Links
- ChemSpider
- 8472911
- ChEMBL
- CHEMBL2107299
- Predicted Properties
Property Value Source Water Solubility 0.00167 mg/mL ALOGPS logP 3.67 ALOGPS logP 1.61 Chemaxon logS -5.4 ALOGPS pKa (Strongest Acidic) 4.01 Chemaxon pKa (Strongest Basic) 9.02 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 81.59 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 116.75 m3·mol-1 Chemaxon Polarizability 44.93 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon