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Substance Name: N-Allylpentobarbital
RN: 99683-86-0
InChIKey: BBAWGSLXDGRZSD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H22-N2-O3

Molecular Weight

  • 266.3388
 
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Names and Synonyms

Name of Substance

  • N-Allylpentobarbital

Synonyms

  • 4-24-00-01953 (Beilstein Handbook Reference)
  • 5-Ethyl-5-(1-methylbutyl)-1-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
  • Barbituric acid, 1-allyl-5-ethyl-5-(1-methylbutyl)-
  • BRN 0256191
  • N-Monoallylpentobarbital

Systematic Name

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylbutyl)-1-(2-propenyl)-

Registry Numbers

CAS Registry Number

  • 99683-86-0

System Generated Number

  • 0099683860

Structure Descriptors

InChI

1S/C14H22N2O3/c1-5-8-10(4)14(7-3)11(17)15-13(19)16(9-6-2)12(14)18/h6,10H,2,5,7-9H2,1,3-4H3,(H,15,17,19)

InChIKey

BBAWGSLXDGRZSD-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 552mg/kg (552mg/kg) BEHAVIORAL: SLEEP Research Communications in Chemical Pathology and Pharmacology. Vol. 50, Pg. 209, 1985.