Lintopride , CAS No.107429-63-0

CAS: 107429-63-0 Cat. No.: L1343461 PubChem CID: 65900

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: CCN1CCN=C1CNC(=O)C2=CC(=C(C=C2OC)N)Cl
• IUPAC Name: 4-amino-5-chloro-N-[(1-ethyl-4,5-dihydroimidazol-2-yl)methyl]-2-methoxybenzamide
• InChIKey: MJCKISCWHDATBN-UHFFFAOYSA-N
• INCHI: 1S/C14H19ClN4O2/c1-3-19-5-4-17-13(19)8-18-14(20)9-6-10(15)11(16)7-12(9)21-2/h6-7H,3-5,8,16H2,1-2H3,(H,18,20)
• Isomeric SMILES: CCN1CCN=C1CNC(=O)C2=CC(=C(C=C2OC)N)Cl
• Alternate CAS: 107429-63-0
• PubChem CID: 65900
• MeSH Entry Terms: 4-amino-5-chloro-N-((1-ethylimidazolin-2-yl)methyl)-2-methoxybenzamide;ACEMM;lintopride

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Aminobenzoic acids and derivatives
          • Level6 Aminobenzamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Aminobenzoic acids and derivatives
• Direct Parent: Aminobenzamides
• Alternative Parents: 3-halobenzoic acids and derivatives Benzamides Aminophenyl ethers Methoxyanilines Phenoxy compounds Benzoyl derivatives Methoxybenzenes Anisoles Alkyl aryl ethers Chlorobenzenes Aryl chlorides Imidolactams Imidazolines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboxamidines Carboximidamides Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds Primary amines
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Aminobenzamide - Aminophenyl ether - Benzamide - Methoxyaniline - Phenol ether - Phenoxy compound - Benzoyl - Aniline or substituted anilines - Anisole - Methoxybenzene - Halobenzene - Chlorobenzene - Alkyl aryl ether - Imidolactam - Aryl halide - Aryl chloride - 2-imidazoline - Carboxamide group - Amino acid or derivatives - Secondary carboxylic acid amide - Amidine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid amidine - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboximidamide - Ether - Organopnictogen compound - Organic oxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Primary amine - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminobenzamides. These are organic compounds containing a benzamide moiety with an amine group attached to the benzene ring.
• 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: 310.780 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 310.12 Da
• Monoisotopic Mass: 310.12 Da
• Topological Polar Surface Area: 80.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 404.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1