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Substance Name: Ethotoin [USP:INN:BAN:JAN]
RN: 86-35-1
UNII: 46QG38NC4U
InChIKey: SZQIFWWUIBRPBZ-UHFFFAOYSA-N

Classification Codes

  • Anticonvulsant
  • Anticonvulsants
  • Central Nervous System Agents
  • Drug / Therapeutic Agent
  • Reproductive Effect

Molecular Formula

  • C11-H12-N2-O2

Molecular Weight

  • 204.2278
 

Names and Synonyms

Name of Substance

  • Ethotoin
  • Ethotoin [USP:INN:BAN:JAN]

Synonyms

  • (+-)-3-Ethyl-5-phenylhydantoin
  • 1-Ethyl-2,5-dioxo-4-phenylimidazolidine
  • 2,4-Imidazolidinedione, 3-ethyl-5-phenyl-, (+-)-
  • 3-Ethyl-5-phenylhydantoin
  • 3-Ethyl-5-phenylimidazolidin-2,4-dione
  • 5-24-08-00005 (Beilstein Handbook Reference)
  • BRN 0188272
  • EINECS 201-665-1
  • Ethotoin
  • Ethotoine
  • Ethotoine [INN-French]
  • Ethotoinum
  • Ethotoinum [INN-Latin]
  • Etotoina
  • Etotoina [INN-Spanish]
  • HSDB 3580
  • Peganone
  • UNII-46QG38NC4U

Systematic Names

  • 2,4-Imidazolidinedione, 3-ethyl-5-phenyl-
  • 3-Ethyl-5-phenylimidazolidin-2,4-dione
  • Ethotoin
  • Hydantoin, 3-ethyl-5-phenyl-

Registry Numbers

CAS Registry Number

  • 86-35-1

FDA UNII

  • 46QG38NC4U

System Generated Number

  • 0000086351

Structure Descriptors

InChI

1S/C11H12N2O2/c1-2-13-10(14)9(12-11(13)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,12,15)

InChIKey

SZQIFWWUIBRPBZ-UHFFFAOYSA-N

Smiles

CCN1C(=O)C(NC1=O)c2ccccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 923mg/kg (923mg/kg)   Drugs in Japan Vol. 6, Pg. 117, 1982.
mouse LD50 oral 1750mg/kg (1750mg/kg)   Drugs in Japan Vol. 6, Pg. 117, 1982.
mouse LD50 subcutaneous 1060mg/kg (1060mg/kg)   Drugs in Japan Vol. 6, Pg. 117, 1982.
rat LD50 intraperitoneal 625mg/kg (625mg/kg)   Drugs in Japan Vol. 6, Pg. 117, 1982.
rat LD50 oral 1500mg/kg (1500mg/kg)   Drugs in Japan Vol. 6, Pg. 117, 1982.
rat LD50 subcutaneous 1gm/kg (1000mg/kg)   Drugs in Japan Vol. 6, Pg. 117, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 94 deg C   EXP
log P (octanol-water) 1.05 (none)   EXP
Water Solubility 5280 mg/L 25 EST
Vapor Pressure 5.54E-08 mm Hg 25 EST
Henry's Law Constant 3.69E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.44E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.