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Substance Name: Barbituric acid, 5-ethyl-5-(1-methylbutyl)-, sodium salt, S(-)-
RN: 21642-82-0
InChIKey: QGMRQYFBGABWDR-FJXQXJEOSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H18-N2-O3.Na

Molecular Weight

  • 248.256
 
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Names and Synonyms

Synonyms

  • S(-)-5-Ethyl-5-(1-methylbutyl)barbituric acid sodium salt
  • S(-)-Pentobarbital sodium

Systematic Name

  • Barbituric acid, 5-ethyl-5-(1-methylbutyl)-, sodium salt, S(-)-

Registry Numbers

CAS Registry Number

  • 21642-82-0

System Generated Number

  • 0021642820

Molecular Formulas

Molecular Formula

  • C11-H18-N2-O3.Na

Molecular Formula Fragments

  • C11-H18-N2-O3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C11H18N2O3.Na/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);/q;+1/p-1/t7-;/m0./s1

InChIKey

QGMRQYFBGABWDR-FJXQXJEOSA-M

Smiles

C1(C([NH-]C(NC1=O)=O)=O)(CC)[C@H](CCC)C.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 101mg/kg (101mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: GENERAL ANESTHETIC
Toxicology and Applied Pharmacology. Vol. 26, Pg. 495, 1973.
mouse LD50 intravenous 86mg/kg (86mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: GENERAL ANESTHETIC
Toxicology and Applied Pharmacology. Vol. 26, Pg. 495, 1973.
rat LDLo intravenous 90mg/kg (90mg/kg)   Journal of the American Chemical Society. Vol. 56, Pg. 1772, 1934.