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Substance Name: Barbituric acid, 5-ethyl-5-heptyl-, sodium salt
RN: 60784-70-5
InChIKey: YXMNFVPMDITOFQ-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H22-N2-O3.Na

Molecular Weight

  • 276.3099
 
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Names and Synonyms

Synonyms

  • 5-Ethyl-5-heptylbarbituric acid sodium salt
  • Sodium 5-ethyl-5-heptylbarbiturate

Systematic Name

  • Barbituric acid, 5-ethyl-5-heptyl-, sodium salt

Registry Numbers

CAS Registry Number

  • 60784-70-5

System Generated Number

  • 0060784705

Molecular Formulas

Molecular Formula

  • C13-H22-N2-O3.Na

Molecular Formula Fragments

  • C13-H22-N2-O3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C13H22N2O3.Na/c1-3-5-6-7-8-9-13(4-2)10(16)14-12(18)15-11(13)17;/h3-9H2,1-2H3,(H2,14,15,16,17,18);/q;+1/p-1

InChIKey

YXMNFVPMDITOFQ-UHFFFAOYSA-M

Smiles

[Na+].CCCCCCCC1(CC)C(=O)NC(=O)[N-]C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 290mg/kg (290mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 29, Pg. 509, 1940.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.91 (none)   EXP
Water Solubility 300 mg/L 15 EXP
Vapor Pressure 2.45E-12 mm Hg 25 EST
Henry's Law Constant 1.49E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.73E-11 cm3/molecule-sec 25 EST

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