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Substance Name: Barbituric acid, 5-ethyl-5-pentyl-
RN: 115-58-2
InChIKey: XYGXSCVUMIDZRR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H18-N2-O3

Molecular Weight

  • 226.274
 
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Names and Synonyms

Synonyms

  • 5-24-09-00167 (Beilstein Handbook Reference)
  • 5-Aethyl-5-pentyl-(2')-barbitursaeure
  • 5-Aethyl-5-pentyl-(2')-barbitursaeure [German]
  • 5-Ethyl-5-pentylbarbituric acid
  • BRN 0210185
  • NSC 32305

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 115-58-2

System Generated Number

  • 0000115582

Structure Descriptors

InChI

1S/C11H18N2O3/c1-3-5-6-7-11(4-2)8(14)12-10(16)13-9(11)15/h3-7H2,1-2H3,(H2,12,13,14,15,16)

InChIKey

XYGXSCVUMIDZRR-UHFFFAOYSA-N

Smiles

O=C1NC(=O)NC(=O)C1(CC)CCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 124mg/kg (124mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 15, Pg. 688, 1965.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.24 (none)   EXP
Water Solubility 1510 mg/L 25 EXP
Vapor Pressure 1.31E-11 mm Hg 25 EST
Henry's Law Constant 8.44E-13 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.