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4-Hydroxymephenytoin - ≥99%, high purity , CAS No.61837-65-8

COA

Grade & Purity:

≥99%

Cas Number: 61837-65-8
Molecular Weight: 234.25
PubChem CID: 119507

In stock

Item Number

H768903

Grouped product items
SKU	Size	Availability	Price	Qty
H768903-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$468.90
H768903-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,404.90

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Metabolite (5307)

Basic Description

Specifications & Purity	≥99%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	4-Hydroxymephenytoin is a metabolite of the antiepileptic drug mephenytoin; mephenytoin is a ligand for CYP2C19.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	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
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

Names and Identifiers

IUPAC Name	5-ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidine-2,4-dione
INCHI	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)
InChIKey	OQPLORUDZLXXPD-UHFFFAOYSA-N
Smiles	CCC1(C(=O)N(C(=O)N1)C)C2=CC=C(C=C2)O
Isomeric SMILES	CCC1(C(=O)N(C(=O)N1)C)C2=CC=C(C=C2)O
WGK Germany	3
PubChem CID	119507
Molecular Weight	234.25

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	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 Å²
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

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