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Substance Name: Allobarbital [USAN:INN]
RN: 52-43-7
UNII: 8NT43GG2HA
InChIKey: FDQGNLOWMMVRQL-UHFFFAOYSA-N

Note

  • A barbiturate derivative with effects of intermediate duration; at lower doses, it is used as a sedative; at higher doses, it displays hypnotic effects.

Molecular Formula

  • C10-H12-N2-O3

Molecular Weight

  • 208.2158
 

Classification Codes

  • Drug / Therapeutic Agent
  • Sedative-Hypnotic
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Names and Synonyms

Name of Substance

  • Allobarbital
  • Allobarbital [USAN:INN]

Synonyms

  • 5,5-Di-2-propenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5,5-Diallylbarbituric acid
  • 5,5-Diallylbarbitursaeure
  • AI3-02725
  • Allbarbital
  • Allobarbital
  • Allobarbitale
  • Allobarbitale [DCIT]
  • Allobarbitalum
  • Allobarbitalum [INN-Latin]
  • Allobarbitone
  • Allylbarbitural
  • Alnox
  • Alobarbital
  • Barballyl
  • Barbidal
  • CCRIS 7087
  • Curral
  • Diadol
  • Dial
  • Dial (barbiturate)
  • Diallylbarbital
  • Diallylbarbiturate
  • Diallylbarbituric acid
  • Diallymal
  • Diallymalum
  • Dialog
  • Dorm
  • Dormallyl
  • EINECS 200-140-4
  • Go 1058
  • Malil
  • Malilum
  • Novallyl
  • NSC 9324
  • NSC-9324
  • UNII-8NT43GG2HA

Systematic Names

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-di-2-propenyl-
  • Allobarbital
  • Barbituric acid, 5,5-diallyl-

Registry Numbers

CAS Registry Number

  • 52-43-7

FDA UNII

  • 8NT43GG2HA

System Generated Number

  • 0000052437

Structure Descriptors

InChI

1S/C10H12N2O3/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-4H,1-2,5-6H2,(H2,11,12,13,14,15)

InChIKey

FDQGNLOWMMVRQL-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 85mg/kg (85mg/kg)   Archiwum Immunologii i Terapii Doswiadczalnej. Vol. 7, Pg. 95, 1959.
mouse LD50 intravenous 218mg/kg (218mg/kg)   Kiso to Rinsho. Clinical Report. Vol. 16, Pg. 2161, 1982.
mouse LD50 intravenous 218mg/kg (218mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: ATAXIA
Kiso to Rinsho. Clinical Report. Vol. 16, Pg. 2161, 1982.
mouse LDLo subcutaneous 200mg/kg (200mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: EXCITEMENT
"Pharmakologische Prufung von Analgetika, Dissertation," Herrlen, G., Pharmakologischen Institut der Universitat Tubingen, Fed. Rep. Ger., 1933Vol. -, Pg. -, 1933.
rabbit LD50 intravenous 147mg/kg (147mg/kg)   Kiso to Rinsho. Clinical Report. Vol. 13, Pg. 791, 1979.
rabbit LDLo intraperitoneal 100mg/kg (100mg/kg) BEHAVIORAL: GENERAL ANESTHETIC Journal of the American Pharmaceutical Association. Vol. 25, Pg. 597, 1936.
rabbit LDLo oral 50mg/kg (50mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.
rat LD50 intraperitoneal 121mg/kg (121mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Pharmazie. Vol. 8, Pg. 913, 1953.
rat LD50 subcutaneous 110mg/kg (110mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 152, Pg. 341, 1930.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 172 deg C   EXP
pKa Dissociation Constant 7.77 (none) 25 EXP
log P (octanol-water) 1.15 (none)   EXP
Water Solubility 1810 mg/L 25 EXP
Vapor Pressure 3.42E-11 mm Hg 25 EST
Henry's Law Constant 3.53E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.19E-11 cm3/molecule-sec 25 EST

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