Solabegron
Also known as (R)-3'-((2-((2-(3-Chlorophenyl)-2-hydroxyethyl)amino)ethyl)amino)-[1,1'-biphenyl]-3-carboxylic acid, solabegronum, GW 427353
Key facts
What buyers check first
- CAS number
- 252920-94-8
- Formula
- C23H23ClN2O3
- Molar mass
- 410.90 g/mol
- HS code
- 292250
- Category
- Screening compounds
What is Solabegron?
Plain description, key identifiers and synonyms
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.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 3-[3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethylamino]phenyl]benzoic acid
- CAS number
- 252920-94-8 CAS number cross-checked
- Molecular formula
- C23H23ClN2O3
- UNII
- 55P6YH9O6N
- MDL number
- MFCD11040855
- InChIKey
- LLDXOPKUNJTIRF-QFIPXVFZSA-N
- InChI
- InChI=1S/C23H23ClN2O3/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)/t22-/m0/s1
- Canonical SMILES
- O=C(O)c1cccc(-c2cccc(NCCNCC(O)c3cccc(Cl)c3)c2)c1
- Isomeric SMILES
- C1=CC(=CC(=C1)C(=O)O)C2=CC(=CC=C2)NCCNC[C@@H](C3=CC(=CC=C3)Cl)O
Synonyms
- (R)-3'-((2-((2-(3-Chlorophenyl)-2-hydroxyethyl)amino)ethyl)amino)-[1,1'-biphenyl]-3-carboxylic acid
- solabegronum
- GW 427353
- 3-[3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethylamino]phenyl]benzoic acid
- (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 acid
- 3-(3-(2-(((2R)-2-(3-chlorophenyl)-2-hydroxyethyl)amino)ethylamino)phenyl)benzoic acid
- (R)-3'-[[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]amino]-[1,1'-biphenyl]-3-carboxylic acid
- 3'-((2-(((2R)-2-(3-chlorophenyl)-2-hydroxyethyl)amino)ethyl)amino)-(1,1'-biphenyl)-3-carboxylic acid
- 3'-((2-((2-(3-Chlorophenyl)-2-hydroxyethyl)amino)ethyl)amino)-(1,1'-biphenyl)-3-carboxylic acid
- [1,1'-Biphenyl]-3-carboxylicacid, 3'-[[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]amino]-
- [1,1'-Biphenyl]-3-carboxylicacid,3'-[[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]aMino]ethyl]aMino]-
- GW 427353B
- Solabegron (hydrochloride)
- Solabegron?
- compound 38
- (R)-3'-(2-(2-(3-Chlorophenyl)-2-hydroxyethylamino)ethylamino)biphenyl-3-carboxylic acid
- 3-[3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]ethylamino]phenyl]benzoic acid
- 3'-((2-(((2R)-2-(3-Chlorophenyl)-2-hydroxyethyl)amino)ethyl)amino)biphenyl-3-carboxylic acid
- 3'-[(2-{[(2r)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}ethyl)amino][1,1'-biphenyl]-3-carboxylic acid
- 3'-[(2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}ethyl)amino][biphenyl]-3-carboxylic acid
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 410.90 g/molcalc.Computed value |
|---|---|
| Exact mass | 410.1397 Dacalc.Computed value |
| LogP (octanol/water) | 4.44calc.Computed value |
| Topological polar surface area | 81.59 Ųcalc.Computed value |
| Hydrogen bond donors | 4calc.Computed value |
| Hydrogen bond acceptors | 4calc.Computed value |
| Rotatable bonds | 9calc.Computed value |
| Heavy atoms | 29calc.Computed value |
| Rings | 3calc.Computed value |
| Aromatic rings | 3calc.Computed value |
| Fraction sp3 carbons | 0.17calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 1calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
Safety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Solabegron suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
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Solabegron price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Pharmacological actions
- Adrenergic beta-3 Receptor Agonists
Roles
- adrenergic agent
- adrenergic agonist
- beta-adrenergic agonist
- beta-adrenergic drug
- neurotransmitter agent
- pharmaceutical
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Solabegron is traded under.
Amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function
- China39.2%
- United Kingdom27.1%
- India * partner reported4.8%
- United States20.7%
- Germany7.6%
- Italy6.6%
* Partner reported figures, a lower bound.
The HS code shown for Solabegron is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Solabegron, based on the data on this page
What is Solabegron?
What is the CAS number of Solabegron?
What is the molecular formula and weight of Solabegron?
What is Solabegron used for?
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What is the HS code of Solabegron?
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What is the price of Solabegron?
Guides for buyers
Practical guides that help when you source, ship or handle Solabegron
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
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