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Substance Name: Barbituric acid, 5-(sec-butyl)-5-(2-pentenyl)-, sodium salt
RN: 64058-03-3
InChIKey: RJIHXPWDDYMESV-UHDJGPCESA-M

Molecular Formula

  • C13-H20-N2-O3.Na

Molecular Weight

  • 274.294
 
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Names and Synonyms

Synonyms

  • 5-(sec-Butyl)-5-(2-pentenyl)barbituric acid, sodium salt
  • Sodium 5-(sec-butyl)-5-(2-pentenyl)barbituric acid

Systematic Name

  • Barbituric acid, 5-(sec-butyl)-5-(2-pentenyl)-, sodium salt

Registry Numbers

CAS Registry Number

  • 64058-03-3

System Generated Number

  • 0064058033

Molecular Formulas

Molecular Formula

  • C13-H20-N2-O3.Na

Molecular Formula Fragments

  • C13-H20-N2-O3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C13H20N2O3.Na/c1-4-6-7-8-13(9(3)5-2)10(16)14-12(18)15-11(13)17;/h6-7,9H,4-5,8H2,1-3H3,(H2,14,15,16,17,18);/q;+1/p-1/b7-6+;

InChIKey

RJIHXPWDDYMESV-UHDJGPCESA-M

Smiles

C1([C@@](C(N=C(N1)[O-])=O)([C@@H](CC)C)C\C=C\CC)=O.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 100mg/kg (100mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: GENERAL ANESTHETIC
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 44, Pg. 152, 1955.