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Substance Name: Methitural sodium salt
RN: 730-68-7
UNII: 054NQ722GD
InChIKey: IPFUISOJBWATGQ-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H20-N2-O2-S2.Na

Molecular Weight

  • 310.416
 
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Names and Synonyms

Name of Substance

  • Methitural sodium salt

Synonyms

  • 5-(1-Methylbutyl)-5-(2-(methylthio)ethyl)-2-thiobarbituric acid sodium salt
  • EINECS 211-985-3
  • Methioturiate
  • Methitural sodium
  • Neraval
  • Sch 3132
  • Sodium methiural
  • Thiobutal
  • Thiogenal
  • UNII-054NQ722GD

Systematic Names

  • Barbituric acid, 5-(1-methylbutyl)-5-(2-(methylthio)ethyl)-2-thio-, sodium salt
  • Methitural sodium

Registry Numbers

CAS Registry Number

  • 730-68-7

FDA UNII

  • 054NQ722GD

Related Registry Number

  • 467-43-6 (Parent)

System Generated Number

  • 0000730687

Molecular Formulas

Molecular Formula

  • C12-H20-N2-O2-S2.Na

Molecular Formula Fragments

  • C12-H20-N2-O2-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C12H20N2O2S2.Na/c1-4-5-8(2)12(6-7-18-3)9(15)13-11(17)14-10(12)16;/h8H,4-7H2,1-3H3,(H2,13,14,15,16,17);/q;+1/p-1

InChIKey

IPFUISOJBWATGQ-UHFFFAOYSA-M

Smiles

N1C(C([C@@H](CCC)C)(CCSC)C([NH-]C1=S)=O)=O.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 454mg/kg (454mg/kg)   Strahlentherapie. Vol. 127, Pg. 245, 1965.
mouse LD50 intravenous 99600ug/kg (99.6mg/kg) BEHAVIORAL: GENERAL ANESTHETIC Journal of Pharmacology and Experimental Therapeutics. Vol. 116, Pg. 317, 1956.
rat LD50 intravenous 75800ug/kg (75.8mg/kg) BEHAVIORAL: GENERAL ANESTHETIC Journal of Pharmacology and Experimental Therapeutics. Vol. 116, Pg. 317, 1956.