Product Name

  • Name

    5-ethyl-5-(3-methylbut-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione

  • EINECS
  • CAS No. 21149-87-1
  • Density 1.096g/cm3
  • Solubility
  • Melting Point
  • Formula C11H15N2O3•Na
  • Boiling Point
  • Molecular Weight 246.27
  • Flash Point
  • Transport Information
  • Appearance
  • Safety Poison by intraperitoneal and intravenous routes. When heated to decomposition it emits toxic fumes of NOx and Na2O. See also BARBITURATES.
  • Risk Codes
  • Molecular Structure Molecular Structure of 21149-87-1 (5-ethyl-5-(3-methylbut-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione)
  • Hazard Symbols 3
  • Synonyms
  • PSA
  • LogP

5-Ethyl-5-(3-methyl-2-butenyl)barbituric acid sodium salt Chemical Properties

Molecule structure of 5-Ethyl-5-(3-methyl-2-butenyl)barbituric acid sodium salt (CAS NO.21149-87-1):

IUPAC Name: Sodium 5-ethyl-5-(3-methylbut-2-enyl)pyrimidin-3-ide-2,4,6-trione 
Molecular Weight: 246.23817 g/mol
Molecular Formula: C11H15N2NaO3
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 3
Tautomer Count: 3
Exact Mass: 246.098037
MonoIsotopic Mass: 246.098037
Topological Polar Surface Area: 64.2
Heavy Atom Count: 17
Complexity: 375
Canonical SMILES: CCC1(C(=O)NC(=O)[N-]C1=O)CC=C(C)C.[Na+]
InChI: InChI=1S/C11H16N2O3.Na/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15;/h5H,4,6H2,1-3H3,(H2,12,13,14,15,16);/q;+1/p-1
InChIKey: OHDSURTUZCAPSD-UHFFFAOYSA-M
Classification Code of 5-Ethyl-5-(3-methyl-2-butenyl)barbituric acid sodium salt (CAS NO.21149-87-1): Drug / Therapeutic Agent

5-Ethyl-5-(3-methyl-2-butenyl)barbituric acid sodium salt Toxicity Data With Reference

1.    

ipr-cat LDLo:6 mg/kg

     NATUAS    Nature. 163 (1949),447.
2.    

ivn-cat LDLo:6 mg/kg

     NATUAS    Nature. 163 (1949),447.
3.    

ipr-rbt LDLo:6 mg/kg

     NATUAS    Nature. 163 (1949),447.
4.    

ivn-rbt LDLo:6 mg/kg

     NATUAS    Nature. 163 (1949),447.

5-Ethyl-5-(3-methyl-2-butenyl)barbituric acid sodium salt Safety Profile

Poison by intraperitoneal and intravenous routes. When heated to decomposition it emits toxic fumes of NOx and Na2O. See also BARBITURATES.

5-Ethyl-5-(3-methyl-2-butenyl)barbituric acid sodium salt Specification

 5-Ethyl-5-(3-methyl-2-butenyl)barbituric acid sodium salt (CAS NO.21149-87-1) is also named as Barbituric acid, 5-ethyl-5-(3-methyl-2-butenyl)-, sodium salt .

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