Bevantolol HCl

Basic Information

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CAS Number

42864-78-8

Molecular Formula

C20H28ClNO4

Molecular Weight

381.9 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

No data available

Melting Point

139.0 to 144.0 deg-C

Boiling Point

518.3°C at 760 mmHg

Flash Point

No data available

Vapor Pressure

No data available

SMILES

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CC1=CC(=CC=C1)OCC(CNCCC2=CC(=C(C=C2)OC)OC)O.Cl

InChI

InChI=1S/C20H27NO4.ClH/c1-15-5-4-6-18(11-15)25-14-17(22)13-21-10-9-16-7-8-19(23-2)20(12-16)24-3;/h4-8,11-12,17,21-22H,9-10,13-14H2,1-3H3;1H

InChIKey

FJTKCFSPYUMXJB-UHFFFAOYSA-N

LogP

3.0060200000000012

Topological Polar Surface Area

59.95 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

355

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

2-Propanol, 1-((2-(3,4-dimethoxyphenyl)ethyl)amino)-3-(3-methylphenoxy)-, HCl
1-((3,4-Dimethoxyphenethyl)amino)-3-(m-tolyloxy)propan-2-ol hydrochloride
Vantol
(+-)-1-((3,4-Dimethoxyphenethyl)amino)-3-(m-tolyloxy)-2-propanol hydrochloride
Bevantolol hydrochloride [USAN]
1-(3,4-dimethoxyphenethylamino)-3-(m-tolyloxy)propan-2-ol hydrochloride
DTXCID8028559
AS-12365
1-[(3,4-Dimethoxyphenethyl)amino]-3-(m-tolyloxy)propan-2-ol Hydrochloride
CHEBI:31282
C20H28ClNO4
MFCD00941389
2-Propanol, 1-((3,4-dimethoxyphenethyl)amino)-3-(m-tolyloxy)-, monohydrochloride
CS-0080735
BEVANTOLOL HYDROCHLORIDE [WHO-DD]
DTXSID5048633
FT-0639809
SOM3355
Calvan (TN)
BEVANTOLOL HYDROCHLORIDE [MI]
UNII-4VB9HU07BC
B5372
Cl 775
Bevantol hydrochloride
Q27114262
bevantolol hydrochloride
42864-78-8 (HCl)
BEVANTOLOL HYDROCHLORIDE [JAN]
2-Propanol, 1-((2-(3,4-dimethoxyphenyl)ethyl)amino)-3-(3-methylphenoxy)-, hydrochloride, (+-)-
CAS-42864-78-8
SOM-3355

MDL Number

MFCD00941389

Customs Code

2922299090

FAQ

What are the physical and chemical properties of Bevantolol HCl (CAS: 42864-78-8)?

Bevantolol HCl is a white to off-white crystalline powder with a molecular weight of approximately 396.84 g/mol. It is slightly soluble in water and sparingly soluble in ethanol. Bevantolol HCl is relatively stable under normal conditions but can react with acids to form hydrochloric acid. It is used as a prodrug for the β-adrenergic receptor antagonist bevantolol.

How is Bevantolol HCl (CAS: 42864-78-8) typically synthesized?

Bevantolol HCl is synthesized by reacting bevantolol with hydrochloric acid. The reaction involves the formation of a salt, where the hydrochloride ion is attached to the bevantolol molecule. Commonly, this process is conducted in a solvent such as methanol or ethanol under mild conditions, followed by the removal of solvent to obtain the crystalline product.

What industries use Bevantolol HCl (CAS: 42864-78-8)?

Bevantolol HCl is primarily used in the pharmaceutical industry as an intermediate for the preparation of bevantolol, a cardioselective β-adrenergic receptor antagonist used in the treatment of hypertension and angina pectoris. It is not commonly used in other industries such as polymers, sensors, or semiconductors.

What precautions should be taken when handling Bevantolol HCl (CAS: 42864-78-8)?

When handling Bevantolol HCl, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Bevantolol HCl should be handled in a well-ventilated area or fume hood to prevent inhalation of dust. In case of spillage, it should be cleaned up with caution using appropriate spill control equipment. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.