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Substance Name: Barbituric acid, 5-ethyl-1-methyl-5-(1-methylbutyl)-
RN: 57562-99-9
InChIKey: OIIGBIYLGSWNKY-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

  • 5-24-09-00170 (Beilstein Handbook Reference)
  • 5-Ethyl-1-methyl-5-(1-methylbutyl)barbituric acid
  • BRN 0225599
  • N-Methylpentobarbital

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 57562-99-9

System Generated Number

  • 0057562999

Structure Descriptors

InChI

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

InChIKey

OIIGBIYLGSWNKY-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LDLo intravenous 30mg/kg (30mg/kg)   Journal of the American Chemical Society. Vol. 58, Pg. 1354, 1936.
rat LDLo intraperitoneal 140mg/kg (140mg/kg)   Journal of the American Chemical Society. Vol. 58, Pg. 1358, 1936.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.45 (none)   EXP
Water Solubility 216 mg/L 25 EST
Vapor Pressure 9.81E-11 mm Hg 25 EST
Henry's Law Constant 1.85E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.86E-11 cm3/molecule-sec 25 EST

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