Product Name

  • Name

    Hexethal Sodium

  • EINECS
  • CAS No. 144-00-3
  • Density g/cm3
  • Solubility
  • Melting Point 126°
  • Formula C12H20 N2 O3 . Na
  • Boiling Point °Cat760mmHg
  • Molecular Weight 262.32
  • Flash Point °C
  • Transport Information
  • Appearance
  • Safety Poison by intraperitoneal, intravenous, and subcutaneous routes. Moderately toxic by ingestion. A sedative and hypnotic agent. When heated to decomposition it emits toxic fumes of NOx and Na2O. See also BARBITURATES.
  • Risk Codes
  • Molecular Structure Molecular Structure of 144-00-3 (Hexethal Sodium)
  • Hazard Symbols
  • Synonyms 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-ethyl-5-hexyl-, monosodium salt (9CI); Barbituric acid, 5-ethyl-5-hexyl-,sodium salt (8CI); 5-Ethyl-5-hexyl-2,4,6(1H,3H,5H)-pyrimidinetrione monosodiumsalt; Hebaral; Heberal; Hexethal; Hexethal sodium; Ortal sodium; Sodium5-ethyl-5-hexylbarbiturate; Sodium hexethal
  • PSA 66.48000
  • LogP 2.16260

5-Ethyl-5-hexylbarbituric acid sodium salt Chemical Properties

Molecule structure of 5-Ethyl-5-hexylbarbituric acid sodium salt (CAS NO.144-00-3):

IUPAC Name: Sodium 5-ethyl-5-hexyl-4,6-dioxo-1H-pyrimidin-2-olate 
Molecular Weight: 262.28063 g/mol
Molecular Formula: C12H19N2NaO3 
Melting Point: 126 deg C 
log P (octanol-water): -1.050
Atmospheric OH Rate Constant: 1.93E-11 cm3/molecule-sec
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 6
Tautomer Count: 2
Exact Mass: 262.129337
MonoIsotopic Mass: 262.129337
Topological Polar Surface Area: 81.6
Heavy Atom Count: 18
Complexity: 344
Canonical SMILES: CCCCCCC1(C(=O)NC(=NC1=O)[O-])CC.[Na+]
InChI: 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
Classification Code of 5-Ethyl-5-hexylbarbituric acid sodium salt (CAS NO.144-00-3): Drug / Therapeutic Agent 

5-Ethyl-5-hexylbarbituric acid sodium salt Toxicity Data With Reference

1.    

orl-rat LDLo:2000 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 60 (1937),125.
2.    

ipr-rat LD50:250 mg/kg

     MEIEDD    Merck Index. 10 (1983),680.
3.    

ivn-rat LDLo:210 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 60 (1937),125.
4.    

ipr-mus LDLo:230 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 31 (1927),455.
5.    

scu-dog LDLo:150 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 60 (1937),439.
6.    

ivn-dog LDLo:40 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 60 (1937),439.
7.    

ivn-cat LDLo:50 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 60 (1937),439.
8.    

ipr-rbt LDLo:75 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 60 (1937),439.
9.    

ivn-rbt LDLo:50 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 60 (1937),439.

5-Ethyl-5-hexylbarbituric acid sodium salt Safety Profile

RIDADR: 3249
HazardClass: 6.1(b)
PackingGroup: III
Poison by intraperitoneal, intravenous, and subcutaneous routes. Moderately toxic by ingestion. A sedative and hypnotic agent. When heated to decomposition it emits toxic fumes of NOx and Na2O. See also BARBITURATES.

5-Ethyl-5-hexylbarbituric acid sodium salt Specification

 5-Ethyl-5-hexylbarbituric acid sodium salt (CAS NO.144-00-3) is also named as 5-Ethyl-5-hexyl-2,4,6(1H,3H,5H)-pyrimidinetrione monosodium salt ; Hebaral ; Hexethal sodium ; Ortal sodium ; Sodium 5-ethyl-5-hexylbarbiturate ; Sodium N-hexylethyl barbiturate ; Sodium hexethal ; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-hexyl-, monosodium salt (9CI) ; Barbituric acid, 5-ethyl-5-hexyl-, sodium salt .

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