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Substance Name: Barbituric acid, 5-(2-bromoallyl)-5-(1-methylbutyl)-, sodium salt
RN: 3330-46-9
InChIKey: PJXYUBAEEYRXTO-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H17-Br-N2-O3.Na

Molecular Weight

  • 339.163
 
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Names and Synonyms

Synonyms

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-bromo-2-propenyl)-5-(1-methylbutyl), monosodium salt
  • EINECS 222-054-6
  • Rectidon
  • Sigmodal sodium
  • Sodium sec-amyl-beta-bromallyl barbiturate

Systematic Names

  • Barbituric acid, 5-(2-bromoallyl)-5-(1-methylbutyl)-, sodium salt
  • Sodium 5-(2-bromoallyl)-5-(sec-pentyl)barbiturate

Registry Numbers

CAS Registry Number

  • 3330-46-9

System Generated Number

  • 0003330469

Molecular Formulas

Molecular Formula

  • C12-H17-Br-N2-O3.Na

Molecular Formula Fragments

  • C12-H17-Br-N2-O3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C12H17BrN2O3.Na/c1-4-5-7(2)12(6-8(3)13)9(16)14-11(18)15-10(12)17;/h7H,3-6H2,1-2H3,(H2,14,15,16,17,18);/q;+1/p-1

InChIKey

PJXYUBAEEYRXTO-UHFFFAOYSA-M

Smiles

C1([C@@](C(N=C(N1)[O-])=O)([C@@H](CCC)C)CC(=C)Br)=O.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD rectal > 100mg/kg (100mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 33, Pg. 10, 1944.
cat LD50 oral 110mg/kg (110mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: ATAXIA

BEHAVIORAL: EXCITEMENT
Journal of Pharmacology and Experimental Therapeutics. Vol. 88, Pg. 260, 1946.
dog LDLo intravenous 35mg/kg (35mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 29, Pg. 49, 1940.
dog LDLo oral 70mg/kg (70mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: GENERAL ANESTHETIC
Journal of Pharmacology and Experimental Therapeutics. Vol. 88, Pg. 260, 1946.
rabbit LDLo intravenous 40mg/kg (40mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 29, Pg. 49, 1940.
rabbit LDLo rectal 90mg/kg (90mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 29, Pg. 49, 1940.
rat LDLo intraperitoneal 50mg/kg (50mg/kg) BEHAVIORAL: SLEEP Journal of Pharmacology and Experimental Therapeutics. Vol. 60, Pg. 323, 1937.
rat LDLo subcutaneous 75mg/kg (75mg/kg) GASTROINTESTINAL: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

LIVER: OTHER CHANGES
Journal of Pharmacology and Experimental Therapeutics. Vol. 57, Pg. 289, 1936.