Product Name

  • Name

    (R)-(+)-Pentobarbital sodium

  • EINECS
  • CAS No. 21642-83-1
  • Density g/cm3
  • Solubility
  • Melting Point
  • Formula C11H17N2O3•Na
  • Boiling Point °Cat760mmHg
  • Molecular Weight 248.29
  • Flash Point °C
  • Transport Information
  • Appearance
  • Safety Poison by intraperitoneal and intravenous routes. Abuse may lead to addiction. When heated to decomposition it emits toxic fumes of NOx and Na2O. See also BARBITURATES.
  • Risk Codes
  • Molecular Structure Molecular Structure of 21642-83-1 ((R)-(+)-Pentobarbital sodium)
  • Hazard Symbols
  • Synonyms
  • PSA 85.08000
  • LogP 1.60930

R(+)-Pentobarbital sodium Chemical Properties

Molecule structure of R(+)-Pentobarbital sodium (CAS NO.21642-83-1):

IUPAC Name: Sodium 5-ethyl-5-[(2R)-pentan-2-yl]pyrimidin-3-ide-2,4,6-trione 
Molecular Weight: 248.25405 g/mol
Molecular Formula: C11H17N2NaO3
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 4
Tautomer Count: 3
Exact Mass: 248.113687
MonoIsotopic Mass: 248.113687
Topological Polar Surface Area: 64.2
Heavy Atom Count: 17
Complexity: 333
Defined Atom StereoCenter Count: 1
Undefined Atom StereoCenter Count: 1
Canonical SMILES: CCCC(C)C1(C(=O)NC(=O)[N-]C1=O)CC.[Na+]
Isomeric SMILES: CCC[C@@H](C)C1(C(=O)NC(=O)[N-]C1=O)CC.[Na+]
InChI: InChI=1S/C11H18N2O3.Na/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);/q;+1/p-1/t7-;/m1./s1
InChIKey of R(+)-Pentobarbital sodium (CAS NO.21642-83-1): QGMRQYFBGABWDR-OGFXRTJISA-M

R(+)-Pentobarbital sodium Toxicity Data With Reference

1.    

ipr-mus LD50:185 mg/kg

    TXAPA9    Toxicology and Applied Pharmacology. 26 (1973),495.
2.    

ivn-mus LD50:147 mg/kg

    TXAPA9    Toxicology and Applied Pharmacology. 26 (1973),495.

R(+)-Pentobarbital sodium Safety Profile

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

R(+)-Pentobarbital sodium Specification

 R(+)-Pentobarbital sodium (CAS NO.21642-83-1) is also named as (+)-Pentobarbital ; R(+)-5-Ethyl-5-(1-methylbutyl)barbituric acid sodium salt ; R(+)-Pentobarbital ; Sodium (R)(+)-pentobarbital ; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylbutyl)-, monosodium salt, (R)- (9CI) ; Barbituric acid, 5-ethyl-5-(1-methylbutyl)-, sodium salt, R(+)- .

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