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Substance Name: Barbituric acid, 5-allyl-5-sec-butyl-2-thio-
RN: 2095-58-1
InChIKey: GCOXVMRWVAFFEE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H16-N2-O2-S

Molecular Weight

  • 240.325
 
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Names and Synonyms

Synonyms

  • 4-24-00-02006 (Beilstein Handbook Reference)
  • 5-Allyl-5-sec-butyl-2-thiobarbituric acid
  • Allyl sec-butyl thiobarbituric acid
  • BRN 0202154
  • Thiosebutal

Systematic Name

  • Barbituric acid, 5-allyl-5-sec-butyl-2-thio-

Registry Numbers

CAS Registry Number

  • 2095-58-1

System Generated Number

  • 0002095581

Structure Descriptors

InChI

1S/C11H16N2O2S/c1-4-6-11(7(3)5-2)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)

InChIKey

GCOXVMRWVAFFEE-UHFFFAOYSA-N

Smiles

C1(C(NC(=S)NC1=O)=O)([C@@H](CC)C)CC=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 150mg/kg (150mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 4, Pg. 441, 1954.
rabbit LDLo intravenous 60mg/kg (60mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 60, Pg. 189, 1937.
rabbit LDLo oral 500mg/kg (500mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 60, Pg. 189, 1937.
rabbit LDLo rectal 110mg/kg (110mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 60, Pg. 189, 1937.