Clorhidrato de eperisona - ≥98% , CAS No.56839-43-1

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

CALIDAD & PUREZA ≥98%

Synonyms

Eperisonehydrochloride|(4'-ethyl-2-methyl-3-piperidino)propiophenone|Eperisone HCl|Myonal|EMPP|Epenard (TN)|1-(4-ethylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one;hydrochloride|EPERISONE HYDROCHLORIDE [MI]|DW-1030|Phloroglucinol-13C6|Eperisone hydrochloride|EPERISONE HYDROCHLORIDE [WHO-DD]|4'-Ethyl-2-methyl-3-piperidinopropiophenone hydrochloride|1-(4-ethylphenyl)-2-methyl-3-(1-piperidinyl)-1-propanone hydrochloride|Eperisone hydrochloride (JP17)|Propiophenone, 4'-ethyl-2-methyl-3-piperidino-, hydrochloride|Mional|EPERISONE HYDROCHLORIDE [MART.]|Eperisone hydrochloride [JAN]|Eperisone, HCl|1-(4-ethylphenyl)-2-methyl-3-(1-piperidyl)propan-1-one hydrochloride;Eperisone HCl|E-2000

Storage

Conservar a -20°C

Shipped In

Hielera + almohadillas de hielo

Descripción general

El clorhidrato de eperisona es un relajante del músculo esquelético y un agente espasmolítico relacionado estructuralmente con la tolperisona.

Especificaciones

Sinónimos

Eperisonehydrochloride | (4'-ethyl-2-methyl-3-piperidino)propiophenone | Eperisone HCl | Myonal | EMPP | Epenard (TN) | 1-(4-ethylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one;hydrochloride | EPERISONE HYDROCHLORIDE [MI] | DW-1030 | Phloroglucinol-13C6 | Eperisone hydrochloride | EPERISONE HYDROCHLORIDE [WHO-DD] | 4'-Ethyl-2-methyl-3-pipe Show more

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C

Enviado en

Hielera + almohadillas de hielo

Tipo de acción

ANTAGONIST

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488187776

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187776

Sonrisas canónicas

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

Isómeros SMILES

CCC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2.Cl

CAS alternativo

56839-43-1

Términos 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
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: 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
• Descripción: 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

Objetivos asociados (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

Objetivos asociados (no 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 acción

Propiedades químicas y físicas

• Solubilidad: Methanol
• Punto de fusión (°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

Preguntas frecuentes

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.