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Esprolol

CAT: 0013-GTR19232049-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19232049-01Size:1 mg
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Description
Esprolol (ACC-9369 free base) is a novel β-blocker developed for research on exertional angina. It serves as a tool compound for investigating β-adrenergic receptor pharmacology in both in vitro binding assays and in vivo models of cardiac ischemia.
CAS Number
396654-09-4
Product Name Alternative
ACC-9369 free base, Adrenergic Receptor, AdrenergicReceptor, β-adrenergic receptor
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
71.58% (May vary between batches)
Smiles
O (C[C@H] (CNC (C) C) O) C1=C (CCC (OCC) =O) C=CC=C1
Molecular Formula
C17H27NO4
Molecular Weight
309.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Acc-9369, (S)-

structure in first source

CAS Number396654-09-4
PubChem CID9950099
IUPAC Nameethyl 3-[2-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoate
Molecular FormulaC17H27NO4
Molecular Weight309.4
XLogP2.5
Topological Polar Surface Area67.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count22
Formal Charge0
Complexity309
SMILES
CCOC(=O)CCC1=CC=CC=C1OC[C@H](CNC(C)C)O
InChI
InChI=1S/C17H27NO4/c1-4-21-17(20)10-9-14-7-5-6-8-16(14)22-12-15(19)11-18-13(2)3/h5-8,13,15,18-19H,4,9-12H2,1-3H3/t15-/m0/s1
InChIKey
DMLSVZSUDBKLED-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of Acc-9369, (S)-
CAS: 396654-09-4
CID: 9950099
Formula: C17H27NO4
MW: 309.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight309.4
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass309.19400834
Monoisotopic Mass309.19400834
Topological Polar Surface Area67.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity309
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-107010-01Esprolol
HY-107010AEsprolol (hydrochloride)
T27286-01Esprolol hydrochloride

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