chempirical

Amobarbital sodium

C11H17N2NaO3CAS 64-43-7248.26 g/mol

Open in Covalent MOL file
ON−ONHONa+

Properties

Molecular formula
C11H17N2NaO3
Molar mass
248.26 g/mol
Exact mass
248.1137 Da
logP
2.48Crippen estimate
Polar surface area
82.3 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
4

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number
64-43-7
SMILES
CCC1(CCC(C)C)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.

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

32 names · show all
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(3-methylbutyl)-, sodium salt (1:1)
  • Barbituric acid, 5-ethyl-5-isopentyl-, sodium salt
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(3-methylbutyl)-, monosodium salt
  • Barbituric acid, 5-ethyl-5-isopentyl-, sodium deriv.
  • Alitinal
  • Amylobarbitone sodium
  • Amytal sodium
  • t-Barb
  • Dorminal
  • Dusotal
  • Sodium 5-ethyl-5-isopentylbarbiturate
  • Sodium amobarbital
  • Sodium amylobarbitone
  • Sodium barbamyl
  • Sodium ethylisoamylbarbiturate
  • Sodium isoamylethylbarbiturate
  • Barbamyl
  • Sodium amytal
  • Sodium amylobarbital
  • Inmetal
  • Amsebarb
  • Barbamil
  • Isomytal sodium
  • Ambarlone
  • Amiotal
  • S. P. Amobarb
  • Hypnobal
  • Sodium 5-ethyl-5-(3-methylbutyl)barbiturate
  • Dormital
  • Sodium amital
  • Iosmytal sodium
  • Talamo

Work with Amobarbital 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.

Amobarbital57-43-2Free acid

Similar compounds

Sodium barbital144-02-573 % similar Phenobarbital sodium57-30-747 % similar Secobarbital sodium309-43-345 % similar Diethyl ethylisoamylmalonate77-24-741 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Pentobarbital sodium57-33-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook