Miroprofen , CAS No.55843-86-2

CAS: 55843-86-2 Cat. No.: M667948 Formule: C₁₆H₁₄N₂O₂ Poids moléculaire: 266.29 Numéro CE: 110-363-8 PubChem CID: 68752

Synonyms

Miroprofen | Miroprofene | Miroprofen [INN] | Miroprofeno | Miroprofenum | Y-9213 | p-Imidazo(1,2-a)pyridin-2-ylhydratropic acid | CHEBI:76249 | Y 9213 | 2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)propanoic acid | 2-(p-(2-Imidazo(1,2-a)pyridyl)phenyl)propionic

Storage

Room temperature

Specifications

Synonymes

Miroprofen | Miroprofene | Miroprofen [INN] | Miroprofeno | Miroprofenum | Y-9213 | p-Imidazo(1,2-a)pyridin-2-ylhydratropic acid | CHEBI:76249 | Y 9213 | 2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)propanoic acid | 2-(p-(2-Imidazo(1,2-a)pyridyl)phenyl)propionic

Conditions de stockage de stockage

Room temperature

Type d'action

INHIBITOR

Propriétés du produit

• ALogP: 3.5

Noms et identifiants

• Sourires canoniques: CC(C1=CC=C(C=C1)C2=CN3C=CC=CC3=N2)C(=O)O
• IUPAC Name: 2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)propanoic acid
• InChIKey: OJGQFYYLKNCIJD-UHFFFAOYSA-N
• INCHI: 1S/C16H14N2O2/c1-11(16(19)20)12-5-7-13(8-6-12)14-10-18-9-3-2-4-15(18)17-14/h2-11H,1H3,(H,19,20)
• Isomères SMILES: CC(C1=CC=C(C=C1)C2=CN3C=CC=CC3=N2)C(=O)O
• PubChem CID: 68752
• Poids moléculaire: 266.29

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Phenylimidazoles
• Alternative Parents: Phenylpropanoic acids Aromatic monoterpenoids Bicyclic monoterpenoids Imidazopyridines Imidazo[1,2-a]pyridines Pyridines and derivatives Benzene and substituted derivatives N-substituted imidazoles Heteroaromatic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-phenylpropanoic-acid - 4-phenylimidazole - 5-phenylimidazole - P-cymene - Aromatic monoterpenoid - Bicyclic monoterpenoid - Monoterpenoid - Imidazo[1,2-a]pyridine - Imidazopyridine - Monocyclic benzene moiety - Benzenoid - Pyridine - N-substituted imidazole - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: 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: monocarboxylic acid - imidazopyridine

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

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Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 266.290 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 266.106 Da
• Monoisotopic Mass: 266.106 Da
• Topological Polar Surface Area: 54.600 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 352.000
• 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

Foire aux questions

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 55843-86-2, the molecular formula is C16H14N2O2, and the molecular weight is 266.29 g/mol. InChIKey OJGQFYYLKNCIJD-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.