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Substance Name: Barbituric acid, 5-allyl-5-(1-methylbutyl)-2-thio-, sodium salt, S(-)-
RN: 51165-41-4
InChIKey: LYZGJWXNOGIVQA-QRPNPIFTSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H18-N2-O2-S.Na

Molecular Weight

  • 276.334
 
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Names and Synonyms

Synonyms

  • S(-)-5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid sodium salt
  • S(-)-Thioamylal sodium

Systematic Name

  • Barbituric acid, 5-allyl-5-(1-methylbutyl)-2-thio-, sodium salt, S(-)-

Registry Numbers

CAS Registry Number

  • 51165-41-4

System Generated Number

  • 0051165414

Molecular Formulas

Molecular Formula

  • C12-H18-N2-O2-S.Na

Molecular Formula Fragments

  • C12-H18-N2-O2-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C12H18N2O2S.Na/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16;/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17);/q;+1/p-1/t8-;/m0./s1

InChIKey

LYZGJWXNOGIVQA-QRPNPIFTSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 74mg/kg (74mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: EXCITEMENT
Toxicology and Applied Pharmacology. Vol. 26, Pg. 495, 1973.
mouse LD50 intravenous 63mg/kg (63mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: EXCITEMENT
Toxicology and Applied Pharmacology. Vol. 26, Pg. 495, 1973.