(±)-Pentobarbital

CAS Registry Number®

76-74-4
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CAS Name

(±)-Pentobarbital

Molecular Formula

C11H18N2O3

Molecular Mass

226.27

Cite this Page

(±)-Pentobarbital.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=76-74-4 (retrieved 2024-04-18) (CAS RN: 76-74-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    130 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C11H18N2O3/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=WEXRUCMBJFQVBZ-UHFFFAOYSA-N

SMILES

C(CCC)(C)C1(CC)C(=O)NC(=O)NC1=O

Canonical SMILES

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)-
  • Barbituric acid, 5-ethyl-5-(1-methylbutyl)-
  • 5-Ethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
  • Ethaminal
  • 5-Ethyl-5-(1-methylbutyl)barbituric acid

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Deleted or Replaced CAS Registry Numbers

5992-37-0

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