Pentobarbital sodium

CAS Registry Number®

57-33-0
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CAS Name

Pentobarbital sodium

Molecular Formula

C11H18N2O3.Na

Cite this Page

Pentobarbital sodium.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=57-33-0 (retrieved 2024-06-16) (CAS RN: 57-33-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    127 °C (decomp)

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

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);

InChIKey

InChIKey=UAMVYWFSQGYHFV-UHFFFAOYSA-N

SMILES

C(CCC)(C)C1(CC)C(=O)NC(=O)NC1=O.[Na]

Canonical SMILES

[Na].O=C1NC(=O)C(C(=O)N1)(CC)C(C)CCC

Other Names for this Substance

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylbutyl)-, sodium salt (1:1)
  • Barbituric acid, 5-ethyl-5-(1-methylbutyl)-, sodium salt
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylbutyl)-, monosodium salt
  • 844
  • Barpental

Deleted or Replaced CAS Registry Numbers

8023-11-8, 8050-99-5, 10579-81-4, 23714-57-0, 317336-85-9

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