- 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