• Molecular NameButobarbital
  • Synonym5-Butyl-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione; 5-Butyl-5-ethylbarbituric acid; 5-Ethyl-5-butylbarbituric acid; 5-Ethyl-5-N-butylbarbituric acid; Butabarbitol; Butethal; Butobarbitalum; Butobarbitone; Butobarbitural; Butyl,5-ethylbarbituric acid
  • Weight212.249
  • Drugbank_IDDB01353
  • ACS_NO77-28-1
  • Show 3D model
  • LogP (experiment)1.73
  • LogP (predicted, AB/LogP v2.0)1.81
  • pka8.0
  • LogD (pH=7, predicted)1.76
  • Solubility (experiment)N/A
  • LogS (predicted, ACD/Labs)(ph=7)-2.25
  • LogSw (predicted, AB/LogsW2.0)1.55
  • Sw (mg/ml) (predicted, ACD/Labs)1.07
  • No.of HBond Donors2
  • No.of HBond Acceptors5
  • No.of Rotatable Bonds4
  • TPSA75.27
  • StatusFDA approved
  • AdministrationN/A
  • PharmacologyA drug which is a barbiturate derivative. It is prescribed for severe insomnia.
  • Absorption_valueN/A
  • Absorption (description)Readily absorbed after oral administration.
  • Caco_2N/A
  • BioavailabilityN/A
  • Protein binding26.0
  • Volume of distribution (VD)0.8 L/kg
  • Blood/Plasma Partitioning ratio (D_blood)N/A
  • MetabollsmMetabolic reactions include side-chain oxidation to form the 3′-hydroxy, 3′-oxo, and 3′-carboxypropyl metabolites.
  • Half life40 h following single doses, but may be reduced to about 30 h after multiple dosing.
  • ExcretionAbout 5 to 9% of an oral dose is excreted in the urine unchanged, 22 to 28% as 3′-hydroxybutobarbital, 14 to 18% as 3′-oxobutobarbital, and 4 to 8% as 5-(3′-carboxypropyl)-5-ethylbarbituric acid.
  • Urinary ExcretionN/A
  • CleranceN/A
  • ToxicityThe estimated minimum lethal dose is 2 g. Toxic effects are associated with plasma concentrations of 14 to 32 to 98 mg/L and fatalities with blood concentrations of 11 to 30 to 75 mg/L.
  • LD50 (rat)N/A
  • LD50 (mouse)N/A