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Substance Name: Barbituric acid, 5-isopentyl-5-propyl-
RN: 17013-42-2
InChIKey: RDYMEDVXKQMMHS-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

  • 5-24-09-00180 (Beilstein Handbook Reference)
  • 5-Isopentyl-5-propylbarbituric acid
  • Barbituric acid, 5-isopentyl-5-propyl-
  • BRN 0021745
  • NSC 120840

Systematic Names

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3-methylbutyl)-5-propyl- (9CI)
  • Barbituric acid, 5-isopentyl-5-propyl-

Registry Numbers

CAS Registry Number

  • 17013-42-2

System Generated Number

  • 0017013422

Structure Descriptors

InChI

1S/C12H20N2O3/c1-4-6-12(7-5-8(2)3)9(15)13-11(17)14-10(12)16/h8H,4-7H2,1-3H3,(H2,13,14,15,16,17)

InChIKey

RDYMEDVXKQMMHS-UHFFFAOYSA-N

Smiles

CCCC1(CCC(C)C)C(=O)NC(=O)NC1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LDLo subcutaneous 220mg/kg (220mg/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) 2.500 (none)   EST
Water Solubility 610 mg/L 16 EXP
Atmospheric OH Rate Constant 1.64E-11 cm3/molecule-sec 25 EST

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