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Substance Name: Barbituric acid, 5,5-dibutyl-
RN: 17013-41-1
InChIKey: KXOZJFGEGGNJDX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H20-N2-O3

Molecular Weight

  • 240.301
 
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Names and Synonyms

Synonyms

  • 5,5-Dibutyl-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5,5-Dibutylbarbituric acid
  • 5-24-09-00180 (Beilstein Handbook Reference)
  • BRN 0228080
  • Dibutylbarbituric acid
  • EINECS 241-088-2

Systematic Names

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-dibutyl- (9CI)
  • 5,5-Dibutylbarbituric acid
  • Barbituric acid, 5,5-dibutyl-

Registry Numbers

CAS Registry Number

  • 17013-41-1

System Generated Number

  • 0017013411

Structure Descriptors

InChI

1S/C12H20N2O3/c1-3-5-7-12(8-6-4-2)9(15)13-11(17)14-10(12)16/h3-8H2,1-2H3,(H2,13,14,15,16,17)

InChIKey

KXOZJFGEGGNJDX-UHFFFAOYSA-N

Smiles

CCCCC1(CCCC)C(=O)NC(=O)NC1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo oral 350mg/kg (350mg/kg) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

GASTROINTESTINAL: NAUSEA OR VOMITING

BEHAVIORAL: SLEEP
Journal of Pharmacology and Experimental Therapeutics. Vol. 26, Pg. 371, 1926.
mouse LD50 intraperitoneal 232mg/kg (232mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 89, Pg. 356, 1947.
rabbit LDLo subcutaneous 500mg/kg (500mg/kg)   Journal of the American Chemical Society. Vol. 45, Pg. 243, 1923.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.7 (none)   EXP
Water Solubility 320 mg/L 20 EXP
Vapor Pressure 5.68E-12 mm Hg 25 EST
Henry's Law Constant 1.12E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.64E-11 cm3/molecule-sec 25 EST

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