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Substance Name: Hexethal sodium
RN: 144-00-3
UNII: ATA79U054W
InChIKey: HXUAXLUDTCGASZ-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H20-N2-O3.Na

Molecular Weight

  • 262.283
 
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Names and Synonyms

Name of Substance

  • Hexethal sodium

Synonyms

  • 5-Ethyl-5-hexyl-2,4,6(1H,3H,5H)-pyrimidinetrione monosodium salt
  • 5-Ethyl-5-hexylbarbituric acid sodium salt
  • Hebaral
  • Hexethal sodium
  • Ortal sodium
  • Sodium 5-ethyl-5-hexylbarbiturate
  • Sodium hexethal
  • Sodium N-hexylethyl barbiturate
  • UNII-ATA79U054W

Systematic Names

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-hexyl-, monosodium salt (9CI)
  • Barbituric acid, 5-ethyl-5-hexyl-, sodium salt

Registry Numbers

CAS Registry Number

  • 144-00-3

FDA UNII

  • ATA79U054W

System Generated Number

  • 0000144003

Molecular Formulas

Molecular Formula

  • C12-H20-N2-O3.Na

Molecular Formula Fragments

  • C12-H20-N2-O3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C12H20N2O3.Na/c1-3-5-6-7-8-12(4-2)9(15)13-11(17)14-10(12)16;/h3-8H2,1-2H3,(H2,13,14,15,16,17);/q;+1/p-1

InChIKey

HXUAXLUDTCGASZ-UHFFFAOYSA-M

Smiles

[Na+].C1([C@@](CC)(C(NC(=N1)[O-])=O)CCCCCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 50mg/kg (50mg/kg) BEHAVIORAL: GENERAL ANESTHETIC Journal of Pharmacology and Experimental Therapeutics. Vol. 60, Pg. 439, 1937.
dog LDLo intravenous 40mg/kg (40mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 60, Pg. 439, 1937.
dog LDLo subcutaneous 150mg/kg (150mg/kg) BEHAVIORAL: GENERAL ANESTHETIC Journal of Pharmacology and Experimental Therapeutics. Vol. 60, Pg. 439, 1937.
mouse LDLo intraperitoneal 230mg/kg (230mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 31, Pg. 455, 1927.
rabbit LDLo intraperitoneal 75mg/kg (75mg/kg) BEHAVIORAL: GENERAL ANESTHETIC Journal of Pharmacology and Experimental Therapeutics. Vol. 60, Pg. 439, 1937.
rabbit LDLo intravenous 50mg/kg (50mg/kg) BEHAVIORAL: SLEEP

BEHAVIORAL: GENERAL ANESTHETIC
Journal of Pharmacology and Experimental Therapeutics. Vol. 60, Pg. 439, 1937.
rat LD50 intraperitoneal 243mg/kg (243mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 29, Pg. 509, 1940.
rat LDLo intravenous 210mg/kg (210mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 60, Pg. 125, 1937.
rat LDLo oral 2gm/kg (2000mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 60, Pg. 125, 1937.
rat LDLo subcutaneous 400mg/kg (400mg/kg) BEHAVIORAL: SLEEP Journal of Pharmacology and Experimental Therapeutics. Vol. 60, Pg. 323, 1937.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 126 deg C   EXP
log P (octanol-water) -1.050 (none)   EST
Atmospheric OH Rate Constant 1.93E-11 cm3/molecule-sec 25 EST

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