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Solabegron HCl

CAT: 1596-AR-S01730-03Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-S01730-03Size:50 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
451470-34-1
Synonyms
(R) -3'- ((2- ((2- (3-chlorophenyl) -2-hydroxyethyl) amino) ethyl) amino) -[1,1'-biphenyl]-3-carboxylic acid hydrochloride; 3'-[[2-[[ (2R) -2- (3-Chlorophenyl) -2-hydroxyethyl]amino]ethyl]amino]-[1,1'-biphenyl]-3-carboxylic Acid Hydrochloride; 3'-[[2-[[ (2R) -2- (3-Chlorophenyl) -2-hydroxyethyl]amino]ethyl]amino]-[1,1'-biphenyl]-3-carboxylic Acid Monohydrochloride; (R) -3'- ((2- ((2- (3-Chlorophenyl) -2-hydroxyethyl) amino) ethyl) amino) -[1,1'-biphenyl]-3-carboxylic Acid Hydrochloride; GW 427353B
Molecular Formula
C23H23ClN2O3. HCl
Molecular Weight
410.90 36.46
API Name
Solabegron

Chemical Information

(1,1'-Biphenyl)-3-carboxylic acid, 3'-((2-(((2R)-2-(3-chlorophenyl)-2-hydroxyethyl)amino)ethyl)amino)-, hydrochloride (1:1)
CAS Number451470-34-1
PubChem CID10297443
IUPAC Name3-[3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethylamino]phenyl]benzoic acid;hydrochloride
Molecular FormulaC23H24Cl2N2O3
Molecular Weight447.4
Topological Polar Surface Area81.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count30
Formal Charge0
Complexity507
SMILES
C1=CC(=CC(=C1)C(=O)O)C2=CC(=CC=C2)NCCNC[C@@H](C3=CC(=CC=C3)Cl)O.Cl
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
InChIKey
PMXCGBVBIRYFPR-FTBISJDPSA-N
Chemical Structure
2D Structure
2D structure of (1,1'-Biphenyl)-3-carboxylic acid, 3'-((2-(((2R)-2-(3-chlorophenyl)-2-hydroxyethyl)amino)ethyl)amino)-, hydrochloride (1:1)
CAS: 451470-34-1
CID: 10297443
Formula: C23H24Cl2N2O3
MW: 447.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight447.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass446.1163980
Monoisotopic Mass446.1163980
Topological Polar Surface Area81.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity507
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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