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Substance Name: Barbituric acid
RN: 67-52-7
UNII: WQ92Y2793G
InChIKey: HNYOPLTXPVRDBG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C4-H4-N2-O3

Molecular Weight

  • 128.087
 
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Names and Synonyms

Name of Substance

  • Barbituric acid

Synonyms

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione
  • 2,4,6-Pyrimidinetriol
  • 2,4,6-Pyrimidinetrione
  • 2,4,6-Trihydroxypyrimidine
  • 2,4,6-Trioxohexahydropyrimidine
  • 6-Hydroxyuracil
  • AI3-02724
  • Barbituric acid
  • EC 200-658-0
  • EINECS 200-658-0
  • Hydrouracil, 6-hydroxy-
  • Malonylurea
  • NSC 7889
  • Pyrimidinetriol
  • Pyrimidinetrione
  • UNII-WQ92Y2793G
  • Urea, N,N'-(1,3-dioxo-1,3-propanediyl)-

Systematic Names

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione
  • Barbituric acid
  • Barbituric acid (VAN) (8CI)

Registry Numbers

CAS Registry Number

  • 67-52-7

FDA UNII

  • WQ92Y2793G

Other Registry Numbers

  • 1030660-92-4
  • 117491-80-2
  • 1175001-15-6
  • 118738-52-6
  • 1194-23-6
  • 1227251-16-2
  • 1333204-15-1
  • 1351684-07-5
  • 1392108-86-9
  • 154254-45-2
  • 158217-19-7
  • 160336-60-7
  • 16564-27-5
  • 1696408-95-3
  • 1802859-89-7
  • 1811546-22-1
  • 1825368-05-5
  • 1888309-80-5
  • 1906914-02-0
  • 20964-57-2
  • 223674-02-0
  • 253678-06-7
  • 253678-07-8
  • 253678-08-9
  • 32267-40-6
  • 408335-37-5
  • 42910-84-9
  • 465532-08-5
  • 477705-05-8
  • 51159-18-3
  • 53853-41-1
  • 63896-95-7
  • 678184-94-6
  • 774592-06-2
  • 860760-03-8
  • 888733-51-5
  • 914348-20-2
  • 944357-77-1

Related Registry Number

  • 4390-16-3 (mono-hydrochloride salt)

System Generated Number

  • 0000067527

Structure Descriptors

InChI

1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)

InChIKey

HNYOPLTXPVRDBG-UHFFFAOYSA-N

Smiles

C1(CC(NC(N1)=O)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 505mg/kg (505mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 106, Pg. 504, 1986.
rat LD50 oral > 5gm/kg (5000mg/kg)   Toxicology and Applied Pharmacology. Vol. 18, Pg. 185, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 248 deg C   EXP
pKa Dissociation Constant 4.04 (none) 25 EXP
log P (octanol-water) -1.47E+00 (none)   EXP
Water Solubility 0.019 mg/L 37 EXP
Vapor Pressure 2.17E-09 mm Hg 25 EST
Henry's Law Constant 1.16E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.53E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.