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CL 316243

CAT: 0013-GTR19206206-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206206-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CL 316243
CAS Number
138908-40-4
Product Name Alternative
Adrenergic Receptor, AdrenergicReceptor, CL-316243, CL316243, CL 316243, Beta Receptor, Inhibitor, inhibit, β3-adrenoceptor
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
98.00% (May vary between batches)
Solubility
DMSO:10 mg/mL (21.47 mM) ; H2O:100 mg/mL (214.69 mM)
Smiles
[Na+].[Na+].C[C@H] (Cc1ccc2OC (Oc2c1) (C ([O-]) =O) C ([O-]) =O) NC[C@H] (O) c1cccc (Cl) c1
Molecular Formula
C20H18ClNNa2O7
Molecular Weight
465.79
Storage Conditions
-20°C
Notes
For research use only.

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

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Alternative Products

CatalogName
BGA12684-01CL-316243
HY-116771A-01CL 316243
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1499/50CL 316243 disodium salt
HY-116771-01CL 316243 (free acid)
T88808-01CL 316243 free acid
ENZ-CHM483-0025CL-316243 . disodium salt
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