4-Hydroxymephenytoin - Moligand™, ≥99%, used for Pharmacological activity studies: Effects of drugs on metabolism; In vitro microsomal cytochrome P450 activity Analytes used in electron capture gas chromatography. various application

CAS: 61837-65-8 Cat. No.: H768903 Fórmula: C₁₂H₁₄N₂O₃ Peso molecular: 234.25 PubChem CID: 119507

GRADE & PURITY Moligand™, ≥99%

Synonyms

5-Ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidine-2,4-dione | (+/-)-4'-Hydroxymephenytoin | (+/-)-5-Ethyl-5-(4-hydroxyphenyl)-3-methylhydantoin

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

4-Hydroxymephenytoin is a metabolite of the antiepileptic drug mephenytoin; mephenytoin is a ligand for CYP2C19.

Specifications

Sinónimos

5-Ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidine-2,4-dione | (+/-)-4'-Hydroxymephenytoin | (+/-)-5-Ethyl-5-(4-hydroxyphenyl)-3-methylhydantoin

Especificaciones y pureza

Moligand™, ≥99%

Aplicación

Pharmacological activity studies: Effects of drugs on metabolism; In vitro microsomal cytochrome P450 activity Analytes used in electron capture gas chromatography.

Condiciones de almacenamiento de almacenamiento

Store at -20°C,Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Pureza

≥99%

Nombres e identificadores

Sonrisas canónicas

CCC1(C(=O)N(C(=O)N1)C)C2=CC=C(C=C2)O

IUPAC Name

5-ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidine-2,4-dione

InChIKey

OQPLORUDZLXXPD-UHFFFAOYSA-N

INCHI

1S/C12H14N2O3/c1-3-12(8-4-6-9(15)7-5-8)10(16)14(2)11(17)13-12/h4-7,15H,3H2,1-2H3,(H,13,17)

Isómeros SMILES

CCC1(C(=O)N(C(=O)N1)C)C2=CC=C(C=C2)O

WGK Alemania

3

PubChem CID

119507

Peso molecular

234.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azolidines
      • Subclass Imidazolidines
        • Level5 Imidazolidinones
          • Level6 Imidazolidinediones
            • Level7 Hydantoins
              • Level8 Phenylhydantoins

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azolidines
• Subclass: Imidazolidines
• Intermediate Tree Nodes: Imidazolidinones - Imidazolidinediones - Hydantoins
• Direct Parent: Phenylhydantoins
• Alternative Parents: Phenylimidazolidines Alpha amino acids and derivatives N-acyl ureas 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Dicarboximides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 5-phenylhydantoin - Phenylimidazolidine - Alpha-amino acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - N-acyl urea - Phenol - Ureide - Monocyclic benzene moiety - Benzenoid - Dicarboximide - Carbonic acid derivative - Urea - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylhydantoins. These are heterocyclic aromatic compounds containing an imiazolidinedione moiety substituted by a phenyl group.
• 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

• Sensibilidad: Air sensitive
• Peso molecular: 234.250 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 234.1 Da
• Monoisotopic Mass: 234.1 Da
• Topological Polar Surface Area: 69.600 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 337.000
• 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