Phenobarbital sodium

C12H11N2NaO3CAS 57-30-7254.22 g/mol

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Properties

Molecular formula
C12H11N2NaO3
Molar mass
254.22 g/mol
Exact mass
254.0667 Da
logP
2.00Crippen estimate
Polar surface area
82.3 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
57-30-7
SMILES
CCC1(c2ccccc2)C(=O)[N-]C(=O)NC1=O.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

22 names · show all
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-, sodium salt (1:1)
  • Barbituric acid, 5-ethyl-5-phenyl-, sodium salt
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-, monosodium salt
  • 5-Ethyl-5-phenylbarbituric acid sodium
  • Gardenal sodium
  • Luminal sodium
  • Phenemalum
  • Phenobal sodium
  • Phenobarbitone sodium
  • Sodium 5-ethyl-5-phenylbarbiturate
  • Sodium luminal
  • Sodium phenobarbital
  • Sodium phenobarbitone
  • Sodium phenylethylbarbiturate
  • Soluble phenobarbital
  • Soluble phenobarbitone
  • Sol phenobarbital
  • Sol phenobarbitone
  • Sodium phenylethylmalonylurea
  • Phenobal
  • Sodium ethylphenylbarbiturate
  • Linasen

Work with Phenobarbital sodium

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Phenobarbital50-06-6Free acid

Similar compounds

Sodium barbital144-02-557 % similar Phenytoin sodium630-93-351 % similar Amobarbital sodium64-43-747 % similar Pentobarbital sodium57-33-046 % similar 1,3-Diethyl 2-ethyl-2-phenylpropanedioate76-67-541 % similar Secobarbital sodium309-43-338 % similar Phenylethylmalonamide7206-76-038 % similar Primidone125-33-736 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Nalidixic acid sodium salt3374-05-8

Elsewhere

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