Eperisone Hydrochloride - ≥98% , CAS No.56839-43-1

CAS: 56839-43-1 Cat. No.: E356736 Fórmula: C₁₇H₂₅NO・HCl Peso molecular: 295.85 Número CE: 110-535-2

GRADE & PURITY ≥98%

Synonyms

BCP11969 | SCHEMBL218337 | Eperisonehydrochloride | D95097 | Q27889924 | FT-0602324 | (4'-ethyl-2-methyl-3-piperidino)propiophenone | Eperisone HCl | Myonal | EN300-20004 | DTXCID8027822 | EMPP | Epenard (TN) | AKOS015843965 | CHEBI:31540 | GTAXGNCCEYZRII

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Eperisone Hydrochloride is a skeletal muscle relaxant and a spasmolytic agent related structurally to Tolperisone.

Specifications

Sinónimos

BCP11969 | SCHEMBL218337 | Eperisonehydrochloride | D95097 | Q27889924 | FT-0602324 | (4'-ethyl-2-methyl-3-piperidino)propiophenone | Eperisone HCl | Myonal | EN300-20004 | DTXCID8027822 | EMPP | Epenard (TN) | AKOS015843965 | CHEBI:31540 | GTAXGNCCEYZRII

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

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

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 488187776
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187776
• Sorrisos canónicos: CCC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2.Cl
• IUPAC Name: 1-(4-ethylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one;hydrochloride
• InChIKey: GTAXGNCCEYZRII-UHFFFAOYSA-N
• INCHI: 1S/C17H25NO.ClH/c1-3-15-7-9-16(10-8-15)17(19)14(2)13-18-11-5-4-6-12-18;/h7-10,14H,3-6,11-13H2,1-2H3;1H
• SMILES isoméricas: CCC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2.Cl
• CAS alternativo: 56839-43-1
• Termos de entrada MeSH: (4'-ethyl-2-methyl-3-piperidino)propiophenone;4-EMPP;E-0646;eperisone
• Peso molecular: 295.85
• Reaxy-Rn: 7055308
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7055308&ln=

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 Benzoyl derivatives Aryl alkyl ketones Piperidines Beta-amino ketones Trialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl-phenylketone - Phenylpropane - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Beta-aminoketone - Piperidine - Benzenoid - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Amine - Hydrochloride - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic nitrogen 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: 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

Alvos associados (humanos)

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

Alvos associados (não humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Methanol
• Ponto de fusão (°C): 169-171° C
• Peso molecular: 295.800 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 295.17 Da
• Monoisotopic Mass: 295.17 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 275.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 56839-43-1, the molecular formula is C17H25NO?HCl, and the molecular weight is 295.85 g/mol. InChIKey GTAXGNCCEYZRII-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.