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Substance Name: Thioamobarbital
RN: 4388-79-8
InChIKey: NGXZRVUMBBHGBE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H18-N2-O2-S

Molecular Weight

  • 242.341
 
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Names and Synonyms

Name of Substance

  • Thioamobarbital

Synonyms

  • 5-24-09-00178 (Beilstein Handbook Reference)
  • 5-Ethyl-5-isoamylthiobarbituric acid
  • 5-Ethyl-5-isopentyl-2-thiobarbituric acid
  • BRN 0211184
  • Ethylisoamylthiobarbituric acid
  • NSC 47360
  • Thioamobarbital
  • Thioamytal
  • Thioethamyl
  • Thioethanyl

Systematic Names

  • 4,6(1H,5H)-Pyrimidinedione, 5-ethyldihydro-5-(3-methylbutyl)-2-thioxo- (9CI)
  • Barbituric acid, 5-ethyl-5-isopentyl-2-thio-

Registry Numbers

CAS Registry Number

  • 4388-79-8

System Generated Number

  • 0004388798

Structure Descriptors

InChI

1S/C11H18N2O2S/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)

InChIKey

NGXZRVUMBBHGBE-UHFFFAOYSA-N

Smiles

C1(NC(=O)C(CCC(C)C)(C(=O)N1)CC)=S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LDLo intravenous 80mg/kg (80mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 60, Pg. 189, 1937.
rabbit LDLo oral 1200mg/kg (1200mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 60, Pg. 189, 1937.
rabbit LDLo rectal 190mg/kg (190mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 60, Pg. 189, 1937.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.98 (none)   EXP
Water Solubility 74.4 mg/L 25 EST
Vapor Pressure 2.15E-10 mm Hg 25 EST
Henry's Law Constant 6.35E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.34E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.