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Substance Name: Butobarbital [INN:BAN]
RN: 77-28-1
UNII: OHZ8QAW6YC
InChIKey: STDBAQMTJLUMFW-UHFFFAOYSA-N

Classification Codes

  • Central Nervous System Agents
  • Central Nervous System Depressants
  • Drug / Therapeutic Agent
  • Human Data
  • Hypnotics and Sedatives
  • Reproductive Effect

Molecular Formula

  • C10-H16-N2-O3

Molecular Weight

  • 212.247
 
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Names and Synonyms

Name of Substance

  • Butobarbital
  • Butobarbital [INN:BAN]

Synonyms

  • 5-24-09-00161 (Beilstein Handbook Reference)
  • 5-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
  • Aethylbutylbarbitursaeure
  • BRN 0201786
  • Budorm
  • Butethal
  • Butethal [NF]
  • Butobarbital
  • Butobarbitalum
  • Butobarbitone
  • Butobarbitural
  • EINECS 201-019-9
  • Etoval
  • Hyperbutal
  • Longanoct
  • Monodorm
  • Neonal
  • NSC 229336
  • Sonerile
  • Soneryl
  • UNII-OHZ8QAW6YC

Systematic Names

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-butyl-5-ethyl- (9CI)
  • 5-Butyl-5-ethylbarbituric acid
  • Barbituric acid, 5-butyl-5-ethyl-

Registry Numbers

CAS Registry Number

  • 77-28-1

FDA UNII

  • OHZ8QAW6YC

Related Registry Number

  • 35763-44-1 (mono-hydrochloride salt)

System Generated Number

  • 0000077281

Structure Descriptors

InChI

1S/C10H16N2O3/c1-3-5-6-10(4-2)7(13)11-9(15)12-8(10)14/h3-6H2,1-2H3,(H2,11,12,13,14,15)

InChIKey

STDBAQMTJLUMFW-UHFFFAOYSA-N

Smiles

C1(C(NC(=O)NC1=O)=O)(CCCC)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo oral 80mg/kg (80mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 33, Pg. 43, 1928.
cat LDLo oral 80mg/kg (80mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: ATAXIA
Journal of Pharmacology and Experimental Therapeutics. Vol. 33, Pg. 43, 1928.
mouse LD50 intraperitoneal 320mg/kg (320mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 89, Pg. 356, 1947.
mouse LDLo oral 100mg/kg (100mg/kg) BEHAVIORAL: SLEEP Archives Internationales de Pharmacodynamie et de Therapie. Vol. 92, Pg. 305, 1953.
rabbit LDLo intraperitoneal 115mg/kg (115mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 44, Pg. 325, 1932.
rabbit LDLo intravenous 90mg/kg (90mg/kg)   Journal of the American Chemical Society. Vol. 57, Pg. 1961, 1935.
rabbit LDLo oral 100mg/kg (100mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 44, Pg. 337, 1932.
rabbit LDLo subcutaneous 100mg/kg (100mg/kg)   Journal of the American Chemical Society. Vol. 45, Pg. 243, 1923.
rat LDLo intraperitoneal 135mg/kg (135mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 44, Pg. 325, 1932.
women TDLo oral 120mg/kg (120mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: COMA
Clinical Toxicology. Vol. 2, Pg. 133, 1969.
women TDLo oral 166mg/kg (166mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING

BEHAVIORAL: COMA

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
British Medical Journal. Vol. 1, Pg. 1238, 1955.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 128.5 deg C   EXP
pKa Dissociation Constant 7.86 (none)   EXP
log P (octanol-water) 1.73 (none)   EXP
Water Solubility 4880 mg/L 25 EXP
Vapor Pressure 3.02E-11 mm Hg 25 EST
Henry's Law Constant 6.36E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.30E-11 cm3/molecule-sec 25 EST

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