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Substance Name: Ethallobarbital
RN: 2373-84-4
UNII: 6F1R68CB4I
InChIKey: QPADNTZLUBYNEN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H12-N2-O3

Molecular Weight

  • 196.2048
 
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Names and Synonyms

Name of Substance

  • Ethallobarbital

Synonyms

  • 5-24-09-00221 (Beilstein Handbook Reference)
  • 5-Aethyl-5-allylbarbitursaure
  • 5-Aethyl-5-allylbarbitursaure [German]
  • 5-Allyl-5-ethylbarbituric acid
  • Aethallymal
  • Aethylal
  • BRN 0167233
  • Dormitiv
  • Dorval
  • EINECS 219-152-6
  • Ethallobarbital
  • Go 1067
  • UNII-6F1R68CB4I

Systematic Names

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(2-propenyl)- (9CI)
  • 5-Allyl-5-ethylbarbituric acid
  • Barbituric acid, 5-allyl-5-ethyl-

Registry Numbers

CAS Registry Number

  • 2373-84-4

FDA UNII

  • 6F1R68CB4I

System Generated Number

  • 0002373844

Structure Descriptors

InChI

1S/C9H12N2O3/c1-3-5-9(4-2)6(12)10-8(14)11-7(9)13/h3H,1,4-5H2,2H3,(H2,10,11,12,13,14)

InChIKey

QPADNTZLUBYNEN-UHFFFAOYSA-N

Smiles

CCC1(CC=C)C(=O)NC(=O)NC1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 175mg/kg (175mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Pharmazie. Vol. 8, Pg. 913, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.95 (none)   EXP
Water Solubility 4020 mg/L 20 EXP
Vapor Pressure 7.39E-11 mm Hg 25 EST
Henry's Law Constant 3.57E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.58E-11 cm3/molecule-sec 25 EST

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