Phenobarbital

CAS Registry Number®

50-06-6
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CAS Name

Phenobarbital

Molecular Formula

C12H12N2O3

Molecular Mass

232.24

Cite this Page

Phenobarbital.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=50-06-6 (retrieved 2024-06-19) (CAS RN: 50-06-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    174-178 °C
  • Density (2)

    0.7 g/cm³

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)

InChIKey

InChIKey=DDBREPKUVSBGFI-UHFFFAOYSA-N

SMILES

C(C)C1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2

Canonical SMILES

O=C1NC(=O)C(C(=O)N1)(C=2C=CC=CC2)CC

Other Names for this Substance

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-
  • Barbituric acid, 5-ethyl-5-phenyl-
  • 5-Ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
  • Adonal
  • Agrypnal

Deleted or Replaced CAS Registry Numbers

11097-06-6, 46755-67-3

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