Pentisomide , CAS No.78833-03-1

CAS: 78833-03-1 Cat. No.: P339998 分子式: C₁₉H₃₃N₃O 分子量: 319.48 PubChem CID: 65847

Synonyms

506T8KTW5Q | alpha-(2-(Diisopropylamino)ethyl)-alpha-isobutylpyridine-2-acetamide | AKOS030530978 | CM 7857 | Pentisomida [INN-Spanish] | Pentisomidum | CM-7857 | PENTISOMIDE [JAN] | DTXSID40869274 | Propisomide | UNII-506T8KTW5Q | Penticainide | PENTISOM

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Pentisomide is a derivative of disopyramide which acts as a sodium channel blocker. Pentisomide is also an antiarrhythmic (class I).

Specifications

同義語

506T8KTW5Q | alpha-(2-(Diisopropylamino)ethyl)-alpha-isobutylpyridine-2-acetamide | AKOS030530978 | CM 7857 | Pentisomida [INN-Spanish] | Pentisomidum | CM-7857 | PENTISOMIDE [JAN] | DTXSID40869274 | Propisomide | UNII-506T8KTW5Q | Penticainide | PENTISOM

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

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

• カノニカル・スマイル: CC(C)CC(CCN(C(C)C)C(C)C)(C1=CC=CC=N1)C(=O)N
• IUPAC Name: 2-[2-[di(propan-2-yl)amino]ethyl]-4-methyl-2-pyridin-2-ylpentanamide
• InChIKey: ZZOZYGHXNQPIPS-UHFFFAOYSA-N
• INCHI: 1S/C19H33N3O/c1-14(2)13-19(18(20)23,17-9-7-8-11-21-17)10-12-22(15(3)4)16(5)6/h7-9,11,14-16H,10,12-13H2,1-6H3,(H2,20,23)
• 異性体SMILES: CC(C)CC(CCN(C(C)C)C(C)C)(C1=CC=CC=N1)C(=O)N
• PubChem CID: 65847
• 分子量: 319.48

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 分類 Organonitrogen compounds
      • Subclass Amines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aralkylamines
• Alternative Parents: Pyridines and derivatives Fatty amides Heteroaromatic compounds Trialkylamines Primary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aralkylamine - Fatty amide - Pyridine - Fatty acyl - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Primary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl 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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in Water
• 融点（°C）: 108-1090°C (lit.)
• 分子量: 319.500 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 319.262 Da
• Monoisotopic Mass: 319.262 Da
• Topological Polar Surface Area: 59.200 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 360.000
• 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: 1

よくある質問

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 78833-03-1, the molecular formula is C19H33N3O, and the molecular weight is 319.48 g/mol. InChIKey ZZOZYGHXNQPIPS-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.