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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
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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)-
  • 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

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

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

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.