32000
Barbital
purum, ≥98.0% (T)
Synonym(s):
5,5-Diethyl-2,4,6(1H,3H,5H)-pyrimidinetrione, 5,5-Diethylbarbituric acid, Barbitone, Veronal
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About This Item
Empirical Formula (Hill Notation):
C8H12N2O3
CAS Number:
Molecular Weight:
184.19
EC Number:
200-331-2
UNSPSC Code:
12352200
MDL number:
Beilstein/REAXYS Number:
163999
grade
purum
assay
≥98.0% (T)
drug control
regulated under CDSA - not available from Sigma-Aldrich Canada
mp
188-192 °C
SMILES string
CCC1(CC)C(=O)NC(=O)NC1=O
InChI
1S/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13)
InChI key
FTOAOBMCPZCFFF-UHFFFAOYSA-N
Biochem/physiol Actions
Sedative/hypnotic
Other Notes
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Naomi L Kruhlak et al.
Toxicology mechanisms and methods, 18(2-3), 217-227 (2008-01-01)
ABSTRACT Drug-induced phospholipidosis (PL) is a condition characterized by the accumulation of phospholipids and drug in lysosomes, and is found in a variety of tissue types. PL is frequently manifested in preclinical studies and may delay or prevent the development
Bram Baert et al.
Bioorganic & medicinal chemistry, 15(22), 6943-6955 (2007-09-11)
A set of 116 structurally very diverse compounds, mainly drugs, was characterized by 1630 molecular descriptors. The biological property modelled in this study was the transdermal permeability coefficient logK(p). The main objective was to find a limited set of suitable
Alfonso Pérez-Garrido et al.
Bioorganic & medicinal chemistry, 17(2), 896-904 (2008-12-06)
This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoretical molecular descriptors, calculated solely from the molecular structure of the compounds under investigation