Flecainide acetate - ≥99% , CAS No.54143-56-5

CAS: 54143-56-5 Cat. No.: F768908 Fórmula: C₁₇H₂₀F₆N₂O₃ · C₂H₄O₂ Peso molecular: 474.39 Número EC: 258-997-5

GRADE & PURITY ≥99%

Synonyms

N-(Piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide Acetate | R-818 | DDMT-2'-O-4'-C-Locked-A(Bz)-CE-Phosphoramidite | MT-locA(bz) Phosphoramidite LNA-A(Bz) amidite | DMT-locA(bz) Phosphoramidite | (1R,3R,4R,7S)-3-(6-Benzamido-9H-purin-9-yl)-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Flecainide acetate (R-818) is an antiarrhythmic agent that blocks the Nav1.5 sodium channel located in the heart.

Specifications

Sinónimos

N-(Piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide Acetate | R-818 | DDMT-2'-O-4'-C-Locked-A(Bz)-CE-Phosphoramidite | MT-locA(bz) Phosphoramidite LNA-A(Bz) amidite | DMT-locA(bz) Phosphoramidite | (1R,3R,4R,7S)-3-(6-Benzamido-9H-purin-9-yl)-

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥99%

Nombres e identificadores

Pubchem Sid

528772399

Sonrisas canónicas

CC(O)=O.FC(F)(F)COc1ccc(OCC(F)(F)F)c(c1)C(=O)NCC2CCCCN2

IUPAC Name

acetic acid;N-(piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide

InChIKey

RKXNZRPQSOPPRN-UHFFFAOYSA-N

INCHI

1S/C17H20F6N2O3.C2H4O2/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11;1-2(3)4/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26);1H3,(H,3,4)

Isómeros SMILES

CC(=O)O.C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F

WGK Alemania

3

Peso molecular

474.39

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzamides
• Alternative Parents: Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Piperidines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Alkyl fluorides Organopnictogen compounds
• Molecular Framework: Not available
• Substituents: Benzamide - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Piperidine - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Secondary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Alkyl fluoride - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Organic oxide - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.
• External Descriptors: acetate salt

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

Propiedades químicas y físicas

• Sensibilidad: Air sensitive，Heat sensitive，Moisture sensitive；
• Punto de fusión (°C): 148.0~152°C
• Peso molecular: 474.400 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 7
• Exact Mass: 474.159 Da
• Monoisotopic Mass: 474.159 Da
• Topological Polar Surface Area: 96.900 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 531.000
• 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

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