Amlodipine besylate - ≥98% , CAS No.111470-99-6

CAS: 111470-99-6 Cat. No.: A128786 Molecular Weight: 567.05 EC Number: 601-097-8

GRADE & PURITY ≥98%

Synonyms

Amlodipine (besylate) | Amlodipine benzenesulfonate | AMLODIPINE BESILATE (MART.) | AMTURNIDE COMPONENT AMLODIPINE BESYLATE | (S)-Amlodipine;levoamlodipine | Antacal | CAS-111470-99-6 | Norvasc | Stamlo | AMLODIPINE BESYLATE [EMA EPAR VETERINARY] | DAFIRO

Storage

Room temperature

Shipped In

Normal

Overview

Related CAS Number :88150-42-9
Amlodipine besylate is a L-type calcium channel blocker which may be used for the treatment of angina pectoris and hypertension. Amlodipine also inhibits growth of human epidermoid carcinoma A431 cells and has antireproductive effects in male rats.

Specifications

Synonyms

Amlodipine (besylate) | Amlodipine benzenesulfonate | AMLODIPINE BESILATE (MART.) | AMTURNIDE COMPONENT AMLODIPINE BESYLATE | (S)-Amlodipine;levoamlodipine | Antacal | CAS-111470-99-6 | Norvasc | Stamlo | AMLODIPINE BESYLATE [EMA EPAR VETERINARY] | DAFIRO

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Potent L-type calcium channel blocker. Inhibits Ca 2+ induced contractions (IC 50 = 2 nM). Shows antiproliferative effects. Shows antihypertensive effects in vivo. Orally active.

Storage

Room temperature

Shipped In

Normal

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504753709
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753709
• Canonical Smiles: CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN.C1=CC=C(C=C1)S(=O)(=O)O
• IUPAC Name: benzenesulfonic acid;3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
• InChIKey: ZPBWCRDSRKPIDG-UHFFFAOYSA-N
• INCHI: 1S/C20H25ClN2O5.C6H6O3S/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21;7-10(8,9)6-4-2-1-3-5-6/h5-8,17,23H,4,9-11,22H2,1-3H3;1-5H,(H,7,8,9)
• Isomeric SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN.C1=CC=C(C=C1)S(=O)(=O)O
• WGK Germany: 3
• RTECS: US7967700
• Molecular Weight: 567.05
• Reaxy-Rn: 8378713
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8378713&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Hydropyridines
        • Level5 Dihydropyridines
          • Level6 Dihydropyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Hydropyridines
• Intermediate Tree Nodes: Dihydropyridines
• Direct Parent: Dihydropyridinecarboxylic acids and derivatives
• Alternative Parents: Chlorobenzenes Aryl chlorides Dicarboxylic acids and derivatives Vinylogous amides Methyl esters Enoate esters Amino acids and derivatives Azacyclic compounds Dialkyl ethers Dialkylamines Enamines Organochlorides Organic oxides Organopnictogen compounds Monoalkylamines Carbonyl compounds Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Dihydropyridinecarboxylic acid derivative - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Dialkyl ether - Secondary aliphatic amine - Azacycle - Enamine - Ether - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Amine - Primary amine - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Primary aliphatic amine - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dihydropyridinecarboxylic acids and derivatives. These are compounds containing a dihydropyridine moiety bearing a carboxylic acid group.
• External Descriptors: organosulfonate 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: Soluble in DMSO (≥20 mg/mL), water (10 mM), chloroform, ethanol (≥14 mg/mL), and methanol
• Melt Point(°C): 195-204°C
• Molecular Weight: 567.100 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 11
• Exact Mass: 566.149 Da
• Monoisotopic Mass: 566.149 Da
• Topological Polar Surface Area: 163.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 830.000
• 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

XLogP3

References

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6. Xueying Li, Xiaokun Li, Suxiang Feng.  (2022)  A Photoelectrochemical Sensor for Firstly the Detection of Amlodipine Besylate Based on an MnC4Pc Coated ZnO Composite Materials.  ELECTROANALYSIS,  35  (1): (e202100703).  [PMID:] [10.1002/elan.202100703]

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