34381-68-5
Product Name:
Acebutolol hydrochloride
Formula:
C18H29ClN2O4
Synonyms:
N-(3-Acetyl-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl)butanamide;Acebutolol hydrochloride
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CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | White or slightly off-white, crystalline powder |
|---|---|
| Melting Point | 141-143 °C |
| Solubility | >55.9 [ug/mL] (The mean of the results at pH 7.4) |
| Collision Cross Section | 188.3 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Other Experimental Properties | Acebutolol is related structurally to atenolol and metoprolol in that the drugs contain substituents in the para position of the benzene ring; however acebutlol differs from these drugs in that it also contains an acetyl group at position 3 in benzene ring. /Acebutolol/ |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
| Molecular Weight | 372.9 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 10 |
| Exact Mass | 372.1815851 g/mol |
| Monoisotopic Mass | 372.1815851 g/mol |
| Topological Polar Surface Area | 87.7 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 401 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Acebutolol hydrochloride is the hydrochloride salt of acebutolol, prepared using equimolar amounts of acebutolol and hydrogen chloride. It has a role as an anti-arrhythmia drug, a beta-adrenergic antagonist, an antihypertensive agent and a sympathomimetic agent. It contains an acebutolol(1+).