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Substance Name: Barbituric acid, 5-(2-butenyl)-5-(3-methylbutyl)-, sodium salt
RN: 67050-10-6
InChIKey: QTOGJAMSKZEOHN-FXRZFVDSSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H20-N2-O3.Na

Molecular Weight

  • 274.294
 
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Names and Synonyms

Synonyms

  • 5-(2-Butenyl)-5-(3-methylbutyl)barbituric acid sodium salt
  • 5-Crotyl-5-(3-methylbutyl)barbituric acid sodium salt

Systematic Name

  • Barbituric acid, 5-(2-butenyl)-5-(3-methylbutyl)-, sodium salt

Registry Numbers

CAS Registry Number

  • 67050-10-6

System Generated Number

  • 0067050106

Molecular Formulas

Molecular Formula

  • C13-H20-N2-O3.Na

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C13H20N2O3.Na/c1-4-5-7-13(8-6-9(2)3)10(16)14-12(18)15-11(13)17;/h4-5,9H,6-8H2,1-3H3,(H2,14,15,16,17,18);/q;+1/p-1/b5-4+;

InChIKey

QTOGJAMSKZEOHN-FXRZFVDSSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo intraperitoneal 180mg/kg (180mg/kg)   Journal of the American Pharmaceutical Association. Vol. 27, Pg. 776, 1938.