Zolpidem 6-Carboxylic Acid Methyl Ester , CAS No.917252-81-4

CAS: 917252-81-4 Cat. No.: Z1012785 PubChem CID: 16088234

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C(=O)OC)CC(=O)N(C)C
• IUPAC Name: methyl 3-[2-(dimethylamino)-2-oxoethyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate
• InChIKey: PJGUQNRCDQDKRX-UHFFFAOYSA-N
• INCHI: 1S/C20H21N3O3/c1-13-5-7-14(8-6-13)19-16(11-18(24)22(2)3)23-12-15(20(25)26-4)9-10-17(23)21-19/h5-10,12H,11H2,1-4H3
• Isómeros SMILES: CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C(=O)OC)CC(=O)N(C)C
• CAS alternativo: 917252-81-4,143086-29-7
• PubChem CID: 16088234

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Phenylimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Phenylimidazoles
• Alternative Parents: Pyridinecarboxylic acids Imidazopyridines Imidazo[1,2-a]pyridines Toluenes N-substituted imidazoles Vinylogous amides Tertiary carboxylic acid amides Methyl esters Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 5-phenylimidazole - 4-phenylimidazole - Imidazopyridine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Imidazo[1,2-a]pyridine - Toluene - Benzenoid - Pyridine - N-substituted imidazole - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Methyl ester - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
• 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

Propiedades químicas y físicas

• Peso molecular: 351.400 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 351.158 Da
• Monoisotopic Mass: 351.158 Da
• Topological Polar Surface Area: 63.900 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 516.000
• 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