Products for Research Use Only

Acebutolol hydrochloride

CAT: 0013-GTR19177659-01Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19177659-01Size:1 ml x 10 mM (in DMSO)
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Description
Acebutolol hydrochloride is a cardioselective beta-blocker with intrinsic sympathomimetic activity, used in research on hypertension and arrhythmias. Its applications extend to in vitro receptor binding studies and in vivo models of cardiovascular disease, investigating its antiarrhythmic and hypotensive mechanisms.
CAS Number
34381-68-5
Product Name Alternative
Adrenergic Receptor, AdrenergicReceptor, Acebutolol, Acebutolol HCl, Acebutolol Hydrochloride, Acebutolol hydrochloride, Beta Receptor, inhibit, Inhibitor, β-adrenergic receptor
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
99.92% (May vary between batches)
Solubility
H2O:69 mg/mL (185.04 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (5.36 mM) ; Ethanol:70 mg/mL (187.72 mM) ; DMSO:250 mg/mL (670.44 mM)
Smiles
Cl.CCCC (=O) Nc1cc (C (=O) C) c (OCC (O) CNC (C) C) cc1
Molecular Formula
C18H29ClN2O4
Molecular Weight
372.89
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Acebutolol Hydrochloride

Acebutolol hydrochloride is the hydrochloride salt of acebutolol, prepared using equimolar amounts of acebutolol and hydrogen chloride. It has a role as a sympathomimetic agent, a beta-adrenergic antagonist, an antihypertensive agent and an anti-arrhythmia drug. It contains an acebutolol(1+).

CAS Number34381-68-5
PubChem CID441307
IUPAC NameN-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide;hydrochloride
Molecular FormulaC18H29ClN2O4
Molecular Weight372.9
Topological Polar Surface Area87.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count25
Formal Charge0
Complexity400
SMILES
CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C.Cl
InChI
InChI=1S/C18H28N2O4.ClH/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3;/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23);1H
InChIKey
KTUFKADDDORSSI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acebutolol Hydrochloride
CAS: 34381-68-5
CID: 441307
Formula: C18H29ClN2O4
MW: 372.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight372.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass372.1815851
Monoisotopic Mass372.1815851
Topological Polar Surface Area87.7 Ų
Heavy Atom Count25
Formal Charge0
Complexity400
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes