Eprazinone 2HCl - ≥99% , CAS No.10402-53-6

CAS: 10402-53-6 Cat. No.: E129497 Molecular Weight: 453.44 PubChem CID: 73356

GRADE & PURITY ≥99%

Synonyms

CAS-10402-53-6 | Eprazinone hydrochloride (JAN) | NSC 317935 | FEMA No. 3290 | Hexahydroxylene | 3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one dihydrochloride | Caprylic acid n-butyl ester | Resplen | DTXCID9026631 | FEMA No.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

CAS-10402-53-6 | Eprazinone hydrochloride (JAN) | NSC 317935 | FEMA No. 3290 | Hexahydroxylene | 3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one dihydrochloride | Caprylic acid n-butyl ester | Resplen | DTXCID9026631 | FEMA No.

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Mucolytic agent. Shows marked secretolytic and bronchial spasmodic properties, further antitussive action and pain relief in the bronchial system.

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.

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

≥99%

Names and Identifiers

• Pubchem Sid: 488184779
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184779
• Canonical Smiles: CCOC(CN1CCN(CC1)CC(C)C(=O)C2=CC=CC=C2)C3=CC=CC=C3.Cl.Cl
• IUPAC Name: 3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one;dihydrochloride
• InChIKey: BPMQVOKMMQFZGV-UHFFFAOYSA-N
• INCHI: 1S/C24H32N2O2.2ClH/c1-3-28-23(21-10-6-4-7-11-21)19-26-16-14-25(15-17-26)18-20(2)24(27)22-12-8-5-9-13-22;;/h4-13,20,23H,3,14-19H2,1-2H3;2*1H
• Isomeric SMILES: CCOC(CN1CCN(CC1)CC(C)C(=O)C2=CC=CC=C2)C3=CC=CC=C3.Cl.Cl
• PubChem CID: 73356
• Molecular Weight: 453.44

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Phenylpropanes Benzylethers Benzoyl derivatives Aryl alkyl ketones N-alkylpiperazines Aralkylamines Beta-amino ketones Trialkylamines Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl-phenylketone - Benzylether - Phenylpropane - Benzoyl - Aryl alkyl ketone - Aralkylamine - N-alkylpiperazine - Monocyclic benzene moiety - Beta-aminoketone - 1,4-diazinane - Piperazine - Benzenoid - Tertiary aliphatic amine - Tertiary amine - Dialkyl ether - Azacycle - Ether - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Hydrochloride - Organopnictogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• External Descriptors: hydrochloride

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO 1 mg/mL Water 18 mg/mL Ethanol
• Molecular Weight: 453.400 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 452.2 Da
• Monoisotopic Mass: 452.2 Da
• Topological Polar Surface Area: 32.800 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 450.000
• 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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