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Substance Name: Propylbarbital
RN: 2217-08-5
UNII: 9DCP1473WY
InChIKey: RCOUWKSZRXJXLA-UHFFFAOYSA-N

Molecular Formula

  • C10-H16-N2-O3

Molecular Weight

  • 212.2474
 
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Names and Synonyms

Name of Substance

  • Propylbarbital

Synonyms

  • 5,5-Dipropyl-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5,5-Dipropylbarbituric acid
  • 5-24-09-00165 (Beilstein Handbook Reference)
  • BRN 0198351
  • Dipropylbarbituric acid
  • EINECS 218-706-4
  • Proponal
  • Propylbarbital
  • UNII-9DCP1473WY

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 2217-08-5

FDA UNII

  • 9DCP1473WY

System Generated Number

  • 0002217085

Structure Descriptors

InChI

1S/C10H16N2O3/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-6H2,1-2H3,(H2,11,12,13,14,15)

InChIKey

RCOUWKSZRXJXLA-UHFFFAOYSA-N

Smiles

CCCC1(CCC)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.
rat LD50 subcutaneous 260mg/kg (260mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 152, Pg. 341, 1930.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.75 (none)   EXP
Water Solubility 600 mg/L 20 EXP
Vapor Pressure 3.02E-11 mm Hg 25 EST
Henry's Law Constant 6.36E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.36E-11 cm3/molecule-sec 25 EST

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