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AdipoRon hydrochloride

CAT: 0931-T62964Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T62964Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1781835-20-8
Target
Adiponectin Receptor, Others
Related Pathways
GPCR/G Protein, Others
Bioactivity
AdipoRon hydrochloride is a specific, orally active AdipoR agonist, capable of binding AdipoR1 (Kd: 1.8 μM) and AdipoR2 (Kd: 3.1 μM) .
Smiles
Cl.O=C(COc1ccc(cc1)C(=O)c1ccccc1)NC1CCN(Cc2ccccc2)CC1
Molecular Formula
C27H29ClN2O3
Molecular Weight
464.99
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

AdipoRon hydrochloride
CAS Number1781835-20-8
PubChem CID78243714
IUPAC Name2-(4-benzoylphenoxy)-N-(1-benzylpiperidin-4-yl)acetamide;hydrochloride
Molecular FormulaC27H29ClN2O3
Molecular Weight465.0
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity582
SMILES
C1CN(CCC1NC(=O)COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)CC4=CC=CC=C4.Cl
InChI
InChI=1S/C27H28N2O3.ClH/c30-26(28-24-15-17-29(18-16-24)19-21-7-3-1-4-8-21)20-32-25-13-11-23(12-14-25)27(31)22-9-5-2-6-10-22;/h1-14,24H,15-20H2,(H,28,30);1H
InChIKey
TZVJQEGKRLDTHQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AdipoRon hydrochloride
CAS: 1781835-20-8
CID: 78243714
Formula: C27H29ClN2O3
MW: 465.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight465.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass464.1866705
Monoisotopic Mass464.1866705
Topological Polar Surface Area58.6 Ų
Heavy Atom Count33
Formal Charge0
Complexity582
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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