Skip Navigation
ChemIDplus A TOXNET DATABASE Lite•Browse•Advanced

Substance Name: Aprobarbital [INN:DCF:NF]
RN: 77-02-1
UNII: Q0YKG9L6RF
InChIKey: UORJNBVJVRLXMQ-UHFFFAOYSA-N

Molecular Formula

  • C10-H14-N2-O3

Molecular Weight

  • 210.232
 

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

  • Allylpropymal
  • Aprobarbital
  • Aprobarbital [INN:DCF:NF]

Synonyms

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylethyl)-5-(2-propenyl)-
  • 5-(1-Methylethyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5-24-09-00224 (Beilstein Handbook Reference)
  • 5-Allyl-5-isopropylbarbiturate
  • 5-Allyl-5-isopropylbarbituric acid
  • 5-Isopropyl-5-allylbarbituric acid
  • Allional
  • Allonal
  • Allylisopropylbarbituric acid
  • Allylisopropylmalonylurea
  • Allylpropymal
  • Allypropymal
  • Allypropymalum
  • Alurate
  • Alurate elixir verdum
  • Aprobarbita
  • Aprobarbital
  • Aprobarbitale
  • Aprobarbitale [DCIT]
  • Aprobarbitalum
  • Aprobarbitalum [INN-Latin]
  • Aprobarbitone
  • Aprozal
  • Barbituric acid, 5-allyl-5-isopropyl-
  • BRN 0180858
  • CCRIS 7088
  • EINECS 200-997-4
  • HSDB 3290
  • Isonal
  • Isonal (swedish)
  • Isopropylallylbarbituric acid
  • NSC 120769
  • Numal
  • UNII-Q0YKG9L6RF

Systematic Names

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylethyl)-5-(2-propenyl)- (9CI)
  • 5-Allyl-5-isopropylbarbituric acid
  • Aprobarbital
  • Barbituric acid, 5-allyl-5-isopropyl-

Superlist Names

  • Alurate
  • Aprobarbital
  • DEA No. 2100

Registry Numbers

CAS Registry Number

  • 77-02-1

FDA UNII

  • Q0YKG9L6RF

Related Registry Number

  • 125-88-2 (mono-hydrochloride salt)

System Generated Number

  • 0000077021

Structure Descriptors

InChI

1S/C10H14N2O3/c1-4-5-10(6(2)3)7(13)11-9(15)12-8(10)14/h4,6H,1,5H2,2-3H3,(H2,11,12,13,14,15)

InChIKey

UORJNBVJVRLXMQ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 12, Pg. 389, 1962.
mouse LD50 subcutaneous 350mg/kg (350mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 25, 1958.
rabbit LDLo intraperitoneal 90mg/kg (90mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 44, Pg. 325, 1932.
rabbit LDLo oral 160mg/kg (160mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 44, Pg. 325, 1932.
rat LDLo intraperitoneal 100mg/kg (100mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 44, Pg. 325, 1932.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 141 deg C   EXP
pKa Dissociation Constant 7.99 (none) 25 EXP
log P (octanol-water) 1.15 (none)   EXP
Water Solubility 4080 mg/L 25 EXP
Vapor Pressure 5.31E-11 mm Hg 25 EST
Henry's Law Constant 4.74E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.98E-11 cm3/molecule-sec 25 EST

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