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Substance Name: Barbituric acid, 5-benzyl-5-ethyl-
RN: 36226-64-9
InChIKey: AMSPRCOZAYSJJZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H14-N2-O3

Molecular Weight

  • 246.2646
 
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Names and Synonyms

Synonyms

  • 5-24-09-00312 (Beilstein Handbook Reference)
  • 5-Benzyl-5-ethylbarbituric acid
  • Benzylbarbital
  • BRN 0227913
  • Ethylbenzylbarbituric acid

Systematic Names

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(phenylmethyl)- (9CI)
  • Barbituric acid, 5-benzyl-5-ethyl-

Registry Numbers

CAS Registry Number

  • 36226-64-9

System Generated Number

  • 0036226649

Structure Descriptors

InChI

1S/C13H14N2O3/c1-2-13(8-9-6-4-3-5-7-9)10(16)14-12(18)15-11(13)17/h3-7H,2,8H2,1H3,(H2,14,15,16,17,18)

InChIKey

AMSPRCOZAYSJJZ-UHFFFAOYSA-N

Smiles

CCC1(Cc2ccccc2)C(=O)NC(=O)NC1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo oral 400mg/kg (400mg/kg) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

GASTROINTESTINAL: NAUSEA OR VOMITING
Journal of Pharmacology and Experimental Therapeutics. Vol. 26, Pg. 371, 1926.
mouse LD50 intraperitoneal 73mg/kg (73mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 89, Pg. 356, 1947.
rabbit LDLo subcutaneous 60mg/kg (60mg/kg)   Journal of the American Chemical Society. Vol. 45, Pg. 243, 1923.