Droxicainide , CAS No.78289-26-6

CAS: 78289-26-6 Cat. No.: D1043404 PubChem CID: 157187

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

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。

名前と識別子

• カノニカル・スマイル: CC1=C(C(=CC=C1)C)NC(=O)C2CCCCN2CCO
• IUPAC Name: N-(2,6-dimethylphenyl)-1-(2-hydroxyethyl)piperidine-2-carboxamide
• InChIKey: NVASAXNGHUPVJX-UHFFFAOYSA-N
• INCHI: 1S/C16H24N2O2/c1-12-6-5-7-13(2)15(12)17-16(20)14-8-3-4-9-18(14)10-11-19/h5-7,14,19H,3-4,8-11H2,1-2H3,(H,17,20)
• 異性体SMILES: CC1=C(C(=CC=C1)C)NC(=O)C2CCCCN2CCO
• 代替CAS番号: 78289-26-6
• PubChem CID: 157187
• MeSH用語: ALS 1249;ALS-1249;droxicainide;N-(2-hydroxyethyl)pipecolinyl-2,6-dimethylanilide;S 1249;S-1249

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid amides
• Alternative Parents: Piperidinecarboxamides Anilides m-Xylenes N-arylamides Trialkylamines Secondary carboxylic acid amides 1,2-aminoalcohols Azacyclic compounds Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid amide - 2-piperidinecarboxamide - Piperidinecarboxamide - Anilide - M-xylene - Xylene - N-arylamide - Monocyclic benzene moiety - Piperidine - Benzenoid - 1,2-aminoalcohol - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Alkanolamine - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organopnictogen compound - Amine - Organic oxygen compound - Alcohol - Organic nitrogen compound - Primary alcohol - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• 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

化学的性質と物理的性質

• 分子量: 276.370 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 276.184 Da
• Monoisotopic Mass: 276.184 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 312.000
• 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