Desisopropyl Disopyramide Oxalate - ≥95% , CAS No.1216619-15-6

CAS: 1216619-15-6 Cat. No.: D1243413 Molecular Weight: 387.43 PubChem CID: 45038867

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC(C)NCCC(C1=CC=CC=C1)(C2=CC=CC=N2)C(=O)N.C(=O)(C(=O)O)O
• IUPAC Name: oxalic acid;2-phenyl-4-(propan-2-ylamino)-2-pyridin-2-ylbutanamide
• InChIKey: VZVCIBBRKTYOOA-UHFFFAOYSA-N
• INCHI: 1S/C18H23N3O.C2H2O4/c1-14(2)20-13-11-18(17(19)22,15-8-4-3-5-9-15)16-10-6-7-12-21-16;3-1(4)2(5)6/h3-10,12,14,20H,11,13H2,1-2H3,(H2,19,22);(H,3,4)(H,5,6)
• Isomeric SMILES: CC(C)NCCC(C1=CC=CC=C1)(C2=CC=CC=N2)C(=O)N.C(=O)(C(=O)O)O
• PubChem CID: 45038867
• Molecular Weight: 387.43

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Gamma amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Gamma amino acids and derivatives
• Alternative Parents: Phenylacetamides Aralkylamines Pyridines and derivatives Fatty amides Dicarboxylic acids and derivatives Heteroaromatic compounds Primary carboxylic acid amides Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Gamma amino acid or derivatives - Phenylacetamide - Aralkylamine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty amide - Pyridine - Benzenoid - Fatty acyl - Heteroaromatic compound - Carboxamide group - Primary carboxylic acid amide - Secondary amine - Azacycle - Carboxylic acid - Organoheterocyclic compound - Secondary aliphatic amine - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Organooxygen compound - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.
• 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

Chemical and Physical Properties

• Molecular Weight: 387.400 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 387.179 Da
• Monoisotopic Mass: 387.179 Da
• Topological Polar Surface Area: 143.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 424.000
• 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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