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

CAS: 10402-53-6 Cat. No.: E420441 分子式: C₂₄H₃₂N₂O₂·2HCl 分子量: 453.44 PubChem CID: 73356

グレード＆純度 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

仕様

同義語

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.

仕様と純度

10mM in Water

生化学的・生理学的メカニズム

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

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

名前と識別子

パブケム・シド

528764412

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

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

PubChem CID

73356

分子量

453.44

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: 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
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• 分子量: 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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