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CAS 67-52-7

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Barbituric acid

Description:
Barbituric acid, with the CAS number 67-52-7, is a white crystalline compound that serves as a key structural component in the synthesis of various barbiturate drugs. It is a derivative of uracil and is classified as a pyrimidine derivative. Barbituric acid is characterized by its ability to form salts and esters, which are often utilized in pharmaceutical applications. The compound is relatively soluble in water and exhibits weak acidic properties, with a pKa indicating its ability to donate protons in solution. Its molecular formula is C4H4N2O3, and it has a molar mass of approximately 116.08 g/mol. Barbituric acid is primarily used as a precursor in the synthesis of more complex barbiturates, which act as central nervous system depressants. While it has limited direct therapeutic use, its derivatives have historically been significant in medicine, particularly in anesthesia and sedation. However, due to the potential for dependence and overdose, the use of barbiturates has declined in favor of safer alternatives.
Formula:C4H4N2O3
InChI:InChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)
InChI key:InChIKey=HNYOPLTXPVRDBG-UHFFFAOYSA-N
SMILES:O=C1CC(=O)NC(=O)N1
Synonyms:
  • 1,2,3,4,5,6-Hexahydro-2,4,6-pyrimidinetrione
  • 1,3-Diazinane-2,4,6-trione
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione
  • 2,4,6-Pyrimidinetriol
  • 2,4,6-Pyrimidinetrione
  • 2,4,6-Trihydroxypyrimidine
  • 2,4,6-Trioxohexahydropyrimidine
  • 2-Hydroxypyrimidine-4,6(1H,5H)-dione
  • 6-Hydroxyuracil
  • 6-hydroxypyrimidine-2,4(1H,3H)-dione
  • See more synonyms
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