Linaprazan Glurate - ≥99% , CAS No.1228559-81-6

CAS: 1228559-81-6 Cat. No.: L986824 Molecular Weight: 480.600

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Specifications & Purity

≥99%

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.

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC1=C(C(=CC=C1)C)CNC2=CC(=CN3C2=NC(=C3C)C)C(=O)NCCOC(=O)CCCC(=O)O
• IUPAC Name: 5-[2-[[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridine-6-carbonyl]amino]ethoxy]-5-oxopentanoic acid
• InChIKey: GPHPBXRKAJSSIC-UHFFFAOYSA-N
• INCHI: 1S/C26H32N4O5/c1-16-7-5-8-17(2)21(16)14-28-22-13-20(15-30-19(4)18(3)29-25(22)30)26(34)27-11-12-35-24(33)10-6-9-23(31)32/h5,7-8,13,15,28H,6,9-12,14H2,1-4H3,(H,27,34)(H,31,32)
• Molecular Weight: 480.600

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Imidazopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Imidazopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazopyridines
• Alternative Parents: Pyridinecarboxylic acids and derivatives Imidazo[1,2-a]pyridines m-Xylenes Phenylmethylamines Benzylamines Aminopyridines and derivatives Aralkylamines Secondary alkylarylamines Fatty acid esters N-substituted imidazoles Dicarboxylic acids and derivatives Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Secondary carboxylic acid amides Amino acids Carboxylic acids Azacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazo[1,2-a]pyridine - Imidazopyridine - Pyridine carboxylic acid or derivatives - Benzylamine - M-xylene - Xylene - Phenylmethylamine - Aminopyridine - Fatty acid ester - Secondary aliphatic/aromatic amine - Aralkylamine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - N-substituted imidazole - Pyridine - Benzenoid - Fatty acyl - Vinylogous amide - Heteroaromatic compound - Azole - Imidazole - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Amino acid - Amino acid or derivatives - Secondary amine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as imidazopyridines. These are organic polycyclic compounds containing an imidazole ring fused to a pyridine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• 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: 480.600 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 12
• Exact Mass: 480.237 Da
• Monoisotopic Mass: 480.237 Da
• Topological Polar Surface Area: 122.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 725.000
• 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