Metipranolol hydrochloride - ≥99% , Beta-1 adrenergic receptor antagonist, CAS No.36592-77-5, Beta-1 adrenergic receptor antagonist

CAS: 36592-77-5 Cat. No.: M651911 Molecular Weight: 345.86 PubChem CID: 656682

GRADE & PURITY ≥99%

Synonyms

METIPRANOLOL HYDROCHLORIDE | MS-25314 | PHENOL, 4-(2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)-2,3,6-TRIMETHYL-, 1-ACETATE, HYDROCHLORIDE (1:1) | FBW237ALKD | (+/-)-1-(4-HYDROXY-2,3,5-TRIMETHYLPHENOXY)-3-(ISOPROPYLAMINO)-2-PROPANOL 4-ACETATE HYDROCHLORIDE

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Metipranolol hydrochloride is a non-selective β adrenergic receptor blocking agent.

In Vitro

Metipranolol is used systemically for the treatment of arterial hypertension and topically for the management of glaucoma. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:β adrenergic receptor

Specifications

Synonyms

METIPRANOLOL HYDROCHLORIDE | MS-25314 | PHENOL, 4-(2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)-2, 3, 6-TRIMETHYL-, 1-ACETATE, HYDROCHLORIDE (1:1) | FBW237ALKD | (+/-)-1-(4-HYDROXY-2, 3, 5-TRIMETHYLPHENOXY)-3-(ISOPROPYLAMINO)-2-PROPANOL 4-ACETATE HYDROCHLORIDE

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Metipranolol hydrochloride is a non-selective β adrenergic receptor blocking agent.

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ANTAGONIST

Mechanism of action

Beta-1 adrenergic receptor antagonist

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 528765623
• Canonical Smiles: CC1=CC(=C(C(=C1OC(=O)C)C)C)OCC(CNC(C)C)O.Cl
• IUPAC Name: [4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2,3,6-trimethylphenyl] acetate;hydrochloride
• InChIKey: BLWNYSZZZWQCKO-UHFFFAOYSA-N
• INCHI: 1S/C17H27NO4.ClH/c1-10(2)18-8-15(20)9-21-16-7-11(3)17(22-14(6)19)13(5)12(16)4;/h7,10,15,18,20H,8-9H2,1-6H3;1H
• Isomeric SMILES: CC1=CC(=C(C(=C1OC(=O)C)C)C)OCC(CNC(C)C)O.Cl
• PubChem CID: 656682
• Molecular Weight: 345.86

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol esters
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol esters
• Alternative Parents: Phenoxy compounds Phenol ethers Alkyl aryl ethers Secondary alcohols Carboxylic acid esters Amino acids and derivatives 1,2-aminoalcohols Monocarboxylic acids and derivatives Dialkylamines Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenol ester - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - 1,2-aminoalcohol - Amino acid or derivatives - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Secondary amine - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrochloride - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Amine - Organic oxygen compound - Alcohol - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
• External Descriptors: organic chloride salt

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: H2O : ≥ 100 mg/mL (289.13 mM) DMSO : 100 mg/mL (289.13 mM; Need ultrasonic)
• Sensitivity: Moisture sensitive
• Molecular Weight: 345.900 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 345.171 Da
• Monoisotopic Mass: 345.171 Da
• Topological Polar Surface Area: 67.800 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 348.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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