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CL316243

CAT: 1568-C01447-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C01447-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
138908-40-4
SKU
C01447-5mg
Target
Adrenergic Receptor
Applications
Neuronal Signaling
Additionnal Information
CL316243 is a highly potent and selective agonist of β3-adrenoceptor with an EC50 value of 3 nM, respectively but is an extremely poor to β1/2- receptors.It effectively stimulates adipocyte lipolysis and increases brown adipose tissue thermogenesis and metabolic rate.

Chemical Information

CL-316243

structure given in first source

CAS Number138908-40-4
PubChem CID5312115
IUPAC Namedisodium;5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate
Molecular FormulaC20H18ClNNa2O7
Molecular Weight465.8
Topological Polar Surface Area131
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity578
SMILES
C[C@H](CC1=CC2=C(C=C1)OC(O2)(C(=O)[O-])C(=O)[O-])NC[C@@H](C3=CC(=CC=C3)Cl)O.[Na+].[Na+]
InChI
InChI=1S/C20H20ClNO7.2Na/c1-11(22-10-15(23)13-3-2-4-14(21)9-13)7-12-5-6-16-17(8-12)29-20(28-16,18(24)25)19(26)27;;/h2-6,8-9,11,15,22-23H,7,10H2,1H3,(H,24,25)(H,26,27);;/q;2*+1/p-2/t11-,15+;;/m1../s1
InChIKey
FUZBPOHHSBDTJQ-CFOQQKEYSA-L
Chemical Structure
2D Structure
2D structure of CL-316243
CAS: 138908-40-4
CID: 5312115
Formula: C20H18ClNNa2O7
MW: 465.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight465.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass465.0567182
Monoisotopic Mass465.0567182
Topological Polar Surface Area131 Ų
Heavy Atom Count31
Formal Charge0
Complexity578
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

Alternative Products

CatalogName
E1049-25mgCL316243
217277CL316243 Hydrate (Disodium 5-[ (2R) -2-[[ (2R) -2- (3-Chlorophenyl) -2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate Hydrate)

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