Eprazinone 2HCl - 10mM in Water , CAS No.10402-53-6

CAS: 10402-53-6 Cat. No.: E420441 Fórmula: C₂₄H₃₂N₂O₂·2HCl Peso molecular: 453.44 PubChem CID: 73356

GRAU & PUREZA 10mM in Water

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 -80°C

Shipped In

Dry ice packs + Cold packs

Especificações

Sinónimos

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.

Especificações e pureza

10mM in Water

Mecanismos bioquímicos e fisiológicos

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

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Nomes e identificadores

Pubchem Sid

528764412

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528764412

Sorrisos canónicos

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

SMILES isoméricas

CCOC(CN1CCN(CC1)CC(C)C(=O)C2=CC=CC=C2)C3=CC=CC=C3.Cl.Cl

PubChem CID

73356

Peso molecular

453.44

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Descrição: 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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 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

XLogP3