(±)-Mephenytoin

C₁₂H₁₄N₂O₂CAS 50-12-4218.26 g/mol

Open in Covalent MOL file

Amide Lactam

Properties

Molecular formula: C₁₂H₁₄N₂O₂
Molar mass: 218.26 g/mol
Exact mass: 218.1055 Da
Melting point: 136–137 °C
pKa: 8.51
Water solubility: practically insoluble
logP: 1.68Crippen estimate
Polar surface area: 52.9 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed97.8% of notifiers
H315 Causes skin irritation93.3% of notifiers
H319 Causes serious eye irritation93.3% of notifiers
H335 May cause respiratory irritation93.3% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

50-12-4

SMILES

CCC1(c2ccccc2)N=C(O)N(C)C1=O

InChIKey

GMHKMTDVRCWUDX-UHFFFAOYSA-N

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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

31 names · show all

2,4-Imidazolidinedione, 5-ethyl-3-methyl-5-phenyl-
Hydantoin, 5-ethyl-3-methyl-5-phenyl-
5-Ethyl-3-methyl-5-phenyl-2,4-imidazolidinedione
5-Ethyl-3-methyl-5-phenylhydantoin
5-Ethyl-3-methyl-5-phenyl-2,4(3H,5H)-imidazoledione
5-Ethyl-3-methyl-5-phenylimidazolidin-2,4-dione
Insulton
Mephenytoin
Mesantoin
Mesontoin
Methoin
3-Methyl-5-ethyl-5-phenylhydantoin
Phenantoin
Phenylethylmethylhydantoin
Triantoin
Epilan
Sacerno
3-Methyl-5-ethyl-5-phenyl-2,4-imidazolidinedione
Methylphenetoin
Epiazin
Metydan
Sedantoin
Fenantoin
(±)-5-Ethyl-3-methyl-5-phenylhydantoin
(±)-Mesantoin
DL-Mephenytoin
Gerot-epilan
Sedantional
Mesdontoin
3-Ethylnirvanol
NSC 34652

Work with (±)-Mephenytoin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Nirvanol631-07-247 % similar Phenobarbital50-06-644 % similar 2-Ethyl-2-phenylbutyric acid5465-28-143 % similar 2-Amino-2-phenylbutyric acid5438-07-340 % similar Benzonal744-80-940 % similar (±)-Glutethimide77-21-438 % similar Phenylethylmalonamide7206-76-036 % similar 1,3-Diethyl 2-ethyl-2-phenylpropanedioate76-67-534 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-Methyl-D-tryptophan110117-83-4 N-Acetylserotonin1210-83-9 Primidone125-33-7 7-Methyl-2-propyl-1H-benzimidazole-5-carboxylic acid152628-03-0 Alpha-methyl-L-tryptophan16709-25-4 2-(tert-Butyl)-5-nitro-1H-indole174274-85-2 1-Methyl-L-tryptophan21339-55-9 6-Methyl-DL-tryptophan2280-85-5

Elsewhere

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