Phenobarbital
CAS Registry Number®
50-06-6
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CAS Name
PhenobarbitalMolecular Formula
C12H12N2O3Molecular Mass
232.24Cite this Page
Phenobarbital. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?ref=50-06-6 (retrieved ) (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 °CDensity (2)
0.7 g/cm³
Source(s)
- (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
- (2) Krahnefeld, Helmut; DD58356, 1967, CAplus
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
