- Molecular NameHexobarbital
- Synonym5-(1-cyclohexen-1-yl)-1,5-dimethylbarbituric acid; Hexobarbitone; Methexenyl; Methylhexabital
- Weight236.271
- Drugbank_IDDB01355
- ACS_NO56-29-1
- Show 3D model
- LogP (experiment)2.0
- LogP (predicted, AB/LogP v2.0)0.39
- pka8.2
- LogD (pH=7, predicted)0.35
- Solubility (experiment)0.44 mg/ml
- LogS (predicted, ACD/Labs)(ph=7)-1.02
- LogSw (predicted, AB/LogsW2.0)3.34
- Sw (mg/ml) (predicted, ACD/Labs)1.59
- No.of HBond Donors1
- No.of HBond Acceptors5
- No.of Rotatable Bonds1
- TPSA69.97
- StatusFDA approved
- AdministrationN/A
- PharmacologyA barbiturate derivative having hypnotic and sedative effects.
- Absorption_value95.0
- Absorption (description)Readily absorbed after oral administration.
- Caco_2N/A
- Bioavailability95.0
- Protein binding47.0
- Volume of distribution (VD)1 L/kg
- Blood/Plasma Partitioning ratio (D_blood)N/A
- MetabollsmHexobarbital is inactivated in the liver by N-demethylation and oxidation.
- Half life3~7 h
- ExcretionAbout 32% of a dose is excreted in the urine in 24 h as 3′-oxohexobarbital, 5% as 3′-hydroxyhexobarbital, and 18% as 1,5-dimethylbarbituric acid; less than 1% of a dose is excreted unchanged in the urine in 24 h.
- Urinary ExcretionN/A
- Clerance3.5 ml/min/kg
- ToxicityThe estimated minimum lethal dose is 2 g. Plasma concentrations greater than about 8 mg/L may produce toxic effects.
- LD50 (rat)N/A
- LD50 (mouse)LD50=745 (po); LD50=150 (intraperitoneal injection)