Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Talbutal [USP:INN]
RN: 115-44-6
UNII: 4YIR8202AX
InChIKey: BJVVMKUXKQHWJK-UHFFFAOYSA-N

Molecular Formula

  • C11-H16-N2-O3

Molecular Weight

  • 224.2584
 

Classification Codes

Classification Code

  • Drug / Therapeutic Agent

Superlist Classification Code

  • DEA Schedule III
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Talbutal
  • Talbutal [USP:INN]

Synonyms

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylpropyl)-5-(2-propenyl)-
  • 5-(1-Methylpropyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5-Allyl-5-(1-methylpropyl) barbituric acid
  • 5-Allyl-5-sec-butylbarbituric acid
  • 5-Isobutyl-5-allylbarbituric acid
  • Barbituric acid, 5-allyl-5-sec-butyl-
  • EINECS 204-090-4
  • HSDB 3397
  • Lotusate
  • Profundol
  • sec-Butyl allyl barbituric acid
  • Talbumalum
  • Talbutal
  • Talbutale
  • Talbutale [DCIT]
  • Talbutalum
  • Talbutalum [INN-Latin]
  • UNII-4YIR8202AX
  • WIN 5095

Systematic Names

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methypropyl)-5-(2-propenyl)-
  • Barbituric acid, 5-allyl-5-sec-butyl-
  • Talbutal

Superlist Names

  • DEA No. 2100
  • Talbutal

Registry Numbers

CAS Registry Number

  • 115-44-6

FDA UNII

  • 4YIR8202AX

System Generated Number

  • 0000115446

Structure Descriptors

InChI

1S/C11H16N2O3/c1-4-6-11(7(3)5-2)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)

InChIKey

BJVVMKUXKQHWJK-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 75mg/kg (75mg/kg)   Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972.
duck LD50 oral 100mg/kg (100mg/kg)   Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972.
mouse LDLo intravenous 143mg/kg (143mg/kg)   Compilation of LD50 Values of New Drugs.
pigeon LD50 oral 56mg/kg (56mg/kg)   Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972.
rabbit LDLo intraperitoneal 55mg/kg (55mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 44, Pg. 325, 1932.
rabbit LDLo intravenous 50mg/kg (50mg/kg)   Journal of the American Chemical Society. Vol. 57, Pg. 1961, 1935.
rabbit LDLo oral 100mg/kg (100mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 44, Pg. 325, 1932.
rat LD50 oral 57500ug/kg (57.5mg/kg)   Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972.
rat LDLo intraperitoneal 75mg/kg (75mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 44, Pg. 325, 1932.
rat LDLo intravenous 68mg/kg (68mg/kg)   Compilation of LD50 Values of New Drugs.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 109 deg C   EXP
pKa Dissociation Constant 7.79 (none) 25 EXP
log P (octanol-water) 1.47 (none)   EXP
Water Solubility 1810 mg/L 25 EST
Vapor Pressure 2.31E-11 mm Hg 25 EST
Henry's Law Constant 6.29E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.27E-11 cm3/molecule-sec 25 EST

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