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Substance Name: Cyclopentobarbital
RN: 76-68-6
UNII: 2230XWG55Q
InChIKey: XOVJAYNMQDTIJD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H14-N2-O3

Molecular Weight

  • 234.2536
 
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Names and Synonyms

Name of Substance

  • Cyclopentobarbital

Synonyms

  • 5-24-09-00269 (Beilstein Handbook Reference)
  • 5-Allyl-5-(2-cyclopentenyl)barbituric acid
  • Allylcyclopentenylbarbital
  • Allylpental
  • BRN 0234280
  • Ciclopal
  • Cyclopal
  • Cyclopen
  • Cyclopental
  • Cyclopentenyl allylbarbituric acid
  • Cyclopentobarbital
  • Dormisan
  • EINECS 200-979-6
  • UNII-2230XWG55Q

Systematic Names

  • 5-Allyl-5-(2-cyclopenten-1-yl)barbituric acid
  • Barbituric acid, 5-allyl-5-(2-cyclopentenyl)-

Registry Numbers

CAS Registry Number

  • 76-68-6

FDA UNII

  • 2230XWG55Q

System Generated Number

  • 0000076686

Structure Descriptors

InChI

1S/C12H14N2O3/c1-2-7-12(8-5-3-4-6-8)9(15)13-11(17)14-10(12)16/h2-3,5,8H,1,4,6-7H2,(H2,13,14,15,16,17)

InChIKey

XOVJAYNMQDTIJD-UHFFFAOYSA-N

Smiles

C=CCC1(C2CCC=C2)C(=O)NC(=O)NC1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 90mg/kg (90mg/kg)   Journal of the American Chemical Society. Vol. 65, Pg. 2091, 1943.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 139.5 deg C   EXP
pKa Dissociation Constant 7.8 (none)   EXP
log P (octanol-water) 1.51 (none)   EXP
Water Solubility 1480 mg/L 25 EST
Vapor Pressure 4.02E-12 mm Hg 25 EST
Henry's Law Constant 3.24E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.59E-11 cm3/molecule-sec 25 EST

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