Products for Research Use Only

Esmolol HCl - Bio-X TM

CAT: 0926-BE164425Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-BE164425Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
81161-17-3
Synonyms
4-[2-Hydroxy-3-[ (1-methylethyl) amino]propoxy]benxzenepropanoic acid methyl ester hydrochloride; ASL-8052; Brevibloc
MDL Number
MFCD00941432
Smiles
CC (C) NCC (COC1=CC=C (C=C1) CCC (=O) OC) O.Cl
Molecular Formula
C16H25NO4•HCl
Molecular Weight
331.83 g/mol
Controlled
No

Chemical Information

Esmolol Hydrochloride

Esmolol Hydrochloride is the hydrochloride salt form of esmolol, a short and rapid-acting beta adrenergic antagonist belonging to the class II anti-arrhythmic drugs and devoid of intrinsic sympathomimetic activity. Esmolol hydrochloride competitively blocks beta-1 adrenergic receptors in cardiac muscle and reduces the contractility and cardiac rate of heart muscle, thereby decreasing cardiac output and myocardial oxygen demands. This agent also decreases sympathetic output centrally and blocks renin secretion. At higher doses, esmolol hydrochloride also blocks beta-2 receptors located in bronchial and vascular smooth muscle, thereby leading to smooth muscle relaxation.

CAS Number81161-17-3
PubChem CID104769
IUPAC Namemethyl 3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoate;hydrochloride
Molecular FormulaC16H26ClNO4
Molecular Weight331.8
Topological Polar Surface Area67.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count22
Formal Charge0
Complexity288
SMILES
CC(C)NCC(COC1=CC=C(C=C1)CCC(=O)OC)O.Cl
InChI
InChI=1S/C16H25NO4.ClH/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3;/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3;1H
InChIKey
GEKNCWBANDDJJL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Esmolol Hydrochloride
CAS: 81161-17-3
CID: 104769
Formula: C16H26ClNO4
MW: 331.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight331.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass331.1550360
Monoisotopic Mass331.1550360
Topological Polar Surface Area67.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity288
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