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 Formule: C₁₂H₁₄N₂O₃ Poids moléculaire: 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

Vue d’ensemble

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

Specifications

Synonymes

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

Spécifications et pureté

Moligand™, ≥99%

Application

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

Conditions de stockage de stockage

Store at -20°C,Argon charged

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Pureté

≥99%

Noms et identifiants

Sourires canoniques

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)

Isomères SMILES

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

WGK Allemagne

3

PubChem CID

119507

Poids moléculaire

234.25

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Air sensitive
• Poids moléculaire: 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