Metoprolol succinate - ≥99% , Beta-1 adrenergic receptor antagonist, CAS No.98418-47-4, Beta-1 adrenergic receptor antagonist

CAS: 98418-47-4 Cat. No.: M305056 Molecular Weight: 652.81 EC Number: 620-476-9

GRADE & PURITY ≥99%

Synonyms

Metoprolol succinate (USP) | METOPROLOL SUCCINATE [USP MONOGRAPH] | TH25PD4CCB | Metoprolol CR XL | s5341 | Beloc-Zok | AKOS015856332 | Q27289962 | Tox21_113155 | (+/-)-1-(ISOPROPYLAMINO)-3-(P-(2-METHOXYETHYL)PHENOXY)-2-PROPANOL SUCCINATE (2:1) (SALT) | M

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Metoprolol succinate (USP) | METOPROLOL SUCCINATE [USP MONOGRAPH] | TH25PD4CCB | Metoprolol CR XL | s5341 | Beloc-Zok | AKOS015856332 | Q27289962 | Tox21_113155 | (+/-)-1-(ISOPROPYLAMINO)-3-(P-(2-METHOXYETHYL)PHENOXY)-2-PROPANOL SUCCINATE (2:1) (SALT) | M

Specifications & Purity

≥99%

Storage

Store at -20°C

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: 504753896
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753896
• Canonical Smiles: CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.C(CC(=O)O)C(=O)O
• IUPAC Name: butanedioic acid;1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
• InChIKey: RGHAZVBIOOEVQX-UHFFFAOYSA-N
• INCHI: 1S/2C15H25NO3.C4H6O4/c2*1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3;5-3(6)1-2-4(7)8/h2*4-7,12,14,16-17H,8-11H2,1-3H3;1-2H2,(H,5,6)(H,7,8)
• Isomeric SMILES: CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.C(CC(=O)O)C(=O)O
• Molecular Weight: 652.81
• Reaxy-Rn: 9821998
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9821998&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass Tyrosols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: Tyrosols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tyrosols and derivatives
• Alternative Parents: Phenoxy compounds Phenol ethers Alkyl aryl ethers Fatty acids and conjugates Dicarboxylic acids and derivatives Secondary alcohols 1,2-aminoalcohols Dialkylamines Dialkyl ethers Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Tyrosol derivative - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Fatty acid - Dicarboxylic acid or derivatives - 1,2-aminoalcohol - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Secondary amine - Dialkyl ether - Secondary aliphatic amine - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Amine - Organic oxygen compound - Alcohol - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as tyrosols and derivatives. These are compounds containing a hydroxyethyl group attached to the C4 carbon of a phenol group.
• External Descriptors: Not available

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

Associated Targets(Human)

Homo sapiens (32628 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 652.800 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 21
• Exact Mass: 652.393 Da
• Monoisotopic Mass: 652.393 Da
• Topological Polar Surface Area: 176.000 Ų
• Heavy Atom Count: 46
• Formal Charge: 0
• Complexity: 308.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

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