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Substance Name: N-Isopropylbarbitone
RN: 85432-35-5
InChIKey: AKBNYULNQSFESQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H18-N2-O3

Molecular Weight

  • 226.2742
 
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Names and Synonyms

Name of Substance

  • N-Isopropylbarbitone

Synonyms

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1-(1-methylethyl)-
  • 4-24-00-01906 (Beilstein Handbook Reference)
  • 5,5-Diethyl-1-isopropylbarbituric acid
  • BRN 0211179
  • Diethyl-5,5' isopropyl-1 pyrimidinetrione
  • Diethyl-5,5' isopropyl-1 pyrimidinetrione [French]

Systematic Name

  • Barbituric acid, 5,5-diethyl-1-isopropyl-

Registry Numbers

CAS Registry Number

  • 85432-35-5

System Generated Number

  • 0085432355

Structure Descriptors

InChI

1S/C11H18N2O3/c1-5-11(6-2)8(14)12-10(16)13(7(3)4)9(11)15/h7H,5-6H2,1-4H3,(H,12,14,16)

InChIKey

AKBNYULNQSFESQ-UHFFFAOYSA-N

Smiles

CCC1(CC)C(=O)NC(=O)N(C(C)C)C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 520mg/kg (520mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 18, Pg. 521, 1983.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.36 (none)   EXP
Water Solubility 308 mg/L 25 EST
Vapor Pressure 2.24E-10 mm Hg 25 EST
Henry's Law Constant 1.40E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.79E-11 cm3/molecule-sec 25 EST

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