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N-5984 Hydrochloride

CAT: 0013-GTR19209871-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209871-01Size:25 mg
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Description
N-5984 Hydrochloride is a selective agonist of the beta-3 adrenergic receptor (beta3-AR) . This small molecule is a research tool used in vitro and in vivo to study metabolic disorders, obesity, and urinary bladder function.
CAS Number
185035-23-8
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
Cl.C[C@H] (Cc1ccc2O[C@H] (COc2c1) C (O) =O) NC[C@H] (O) c1cccc (Cl) c1
Molecular Formula
C20H23Cl2NO5
Molecular Weight
428.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-5984 Hydrochloride
CAS Number185035-23-8
PubChem CID156613743
IUPAC Name(2R)-6-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid;hydrochloride
Molecular FormulaC20H23Cl2NO5
Molecular Weight428.3
Topological Polar Surface Area88
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity493
SMILES
C[C@H](CC1=CC2=C(C=C1)O[C@H](CO2)C(=O)O)NC[C@@H](C3=CC(=CC=C3)Cl)O.Cl
InChI
InChI=1S/C20H22ClNO5.ClH/c1-12(22-10-16(23)14-3-2-4-15(21)9-14)7-13-5-6-17-18(8-13)26-11-19(27-17)20(24)25;/h2-6,8-9,12,16,19,22-23H,7,10-11H2,1H3,(H,24,25);1H/t12-,16+,19-;/m1./s1
InChIKey
WYYDSQVPYKSNHF-VXTSHZJESA-N
Chemical Structure
2D Structure
2D structure of N-5984 Hydrochloride
CAS: 185035-23-8
CID: 156613743
Formula: C20H23Cl2NO5
MW: 428.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass427.0953282
Monoisotopic Mass427.0953282
Topological Polar Surface Area88 Ų
Heavy Atom Count28
Formal Charge0
Complexity493
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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