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Substance Name: 2-O-Isopropyl barbitone
RN: 85445-03-0
InChIKey: GWBJKDRJBWUMFT-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

  • 2-O-Isopropyl barbitone

Synonyms

  • 4,6(1H,5H)-Pyrimidinedione, 5,5-diethyl-2-(1-methylethoxy)-
  • 5,5-Diethyl-2-isopropoxy-4,6(1H,5H)-pyrimidinedione
  • BRN 5030638
  • Diethyl-5,5' isopropyloxy-2 pyrimidinedione-4,6
  • Diethyl-5,5' isopropyloxy-2 pyrimidinedione-4,6 [French]

Systematic Name

  • 4,6(1H,5H)-Pyrimidinedione, 5,5-diethyl-2-isopropoxy-

Registry Numbers

CAS Registry Number

  • 85445-03-0

System Generated Number

  • 0085445030

Structure Descriptors

InChI

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

InChIKey

GWBJKDRJBWUMFT-UHFFFAOYSA-N

Smiles

CCC1(C(=O)NC(=NC1=O)OC(C)C)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 820mg/kg (820mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

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) 1.44 (none)   EXP
Water Solubility 1880 mg/L 25 EST
Vapor Pressure 1.25E-09 mm Hg 25 EST
Henry's Law Constant 8.05E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.53E-11 cm3/molecule-sec 25 EST

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