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API & reference standards

Mephenytoin

Mephenytoin is listed in the API and reference-standard collection. Its represented structure has formula C12H14N2O2 and a calculated molecular weight of 218.26 g/mol.

2D chemical structure

N H O N O

Chemical identity

Catalog name
Mephenytoin
Common name
Mephenytoin
Chemical name
5-ethyl-3-methyl-5-phenylimidazolidine-2,4-dione
CAS
Not available
SMILES
CCC1(c2ccccc2)NC(=O)N(C)C1=O
InChI
InChI=1S/C12H14N2O2/c1-3-12(9-7-5-4-6-8-9)10(15)14(2)11(16)13-12/h4-8H,3H2,1-2H3,(H,13,16)
InChIKey
GMHKMTDVRCWUDX-UHFFFAOYSA-N

Record ID: A1a9897beb8a0

Computed properties

C12H14N2O2 Molecular formula
218.256 g/molMolecular weight
218.1055 DaMonoisotopic exact mass
49.41 ŲTopological polar surface area
1.4735 Calculated LogP (Wildman–Crippen)
59.7127 cm³/molMolar refractivity (Wildman–Crippen)
2 countHydrogen-bond acceptors
1 countHydrogen-bond donors

Descriptors are calculated from the displayed SMILES. Calculated LogP is not a measured partition coefficient or a pH-specific LogD. 1 potential atom stereocenters have unspecified configuration.

Molecular descriptor profile

Descriptor radar

Mol. weight LogP TPSA HBA HBD Rotatable 25 50 75 100

Structural feature counts

0 1 2 Count H-bond acceptors H-bond donors Rotatable bonds Rings Aromatic rings Stereo centers

Element composition

C H N O 0 3 6 9 12 Number of atoms

Radar scale: 0–100 percentile within 25,771 distinct represented structures in this release, using the midpoint rank for ties. Larger values indicate a higher descriptor rank, not greater safety or toxicity. Element counts include hydrogen and combine isotopes under each element.

Radar values and percentile reference
DescriptorValuePercentile
Molecular weight218.25622.12
Calculated LogP (Wildman–Crippen)1.473532.98
Topological polar surface area49.4130.69
Hydrogen-bond acceptors215.92
Hydrogen-bond donors138.08
Rotatable bonds (strict)224.16

Complete molecular descriptors

PropertyCalculated valueUnit / type
Molecular formulaC12H14N2O2dimensionless
Molecular weight218.256g/mol
Monoisotopic exact mass218.1055Da
Topological polar surface area49.41Ų
Calculated LogP (Wildman–Crippen)1.4735dimensionless
Molar refractivity (Wildman–Crippen)59.7127cm³/mol
Hydrogen-bond acceptors2count
Hydrogen-bond donors1count
Rotatable bonds (strict)2count
Heavy atoms16count
Heteroatoms4count
Rings2count
Aromatic rings1count
Aliphatic rings1count
Saturated rings1count
Aromatic heterocycles0count
Aliphatic heterocycles1count
Saturated heterocycles1count
Aromatic carbocycles1count
Aliphatic carbocycles0count
Fraction of sp³ carbon atoms0.3333fraction
Formal charge0e
Disconnected components1count
Isotopically specified atoms0count
Potential atom stereocenters1count
Unspecified atom stereocenters1count
Spiro atoms0count
Bridgehead atoms0count
Labute approximate surface area94.248Ų
Valence electrons84count
Radical electrons0count
Bertz complexity429.9047index
Balaban J2.4991index

Ring categories overlap and should not be summed. No toxicity result, PDE, HBEL or acceptable intake is inferred from these descriptors.

Toxicological services and resources for Mephenytoin

PDE, HBEL and impurity assessment for Mephenytoin

For a substance-specific assessment, request a PDE report for Mephenytoin or explore HBEL derivation for Mephenytoin. These services address exposure limits using toxicological evidence and the intended use of the substance.

For pharmaceutical development, explore prediction of degradation products of Mephenytoin and qualification of impurities related to Mephenytoin.

Related Altox services and technical resources

Other catalogue designations with the same represented structure

These are separate catalogue entries; shared structure does not establish interchangeable pharmacopoeial designations.

Identity sources and calculation method

Identifiers originate from the source catalogues and available public identity records. InChI and InChIKey on this page are generated from the displayed SMILES. RDKit validation checks the molecular representation; it does not independently verify every catalogue assignment.

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