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Substance Name: Reposal
RN: 3625-25-0
UNII: 3T5TIX1AYI
InChIKey: MKELYWOVSPVORM-UHFFFAOYSA-N

Classification Code

  • Human Data

Molecular Formula

  • C14-H18-N2-O3

Molecular Weight

  • 262.3072
 
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Names and Synonyms

Name of Substance

  • Reposal

Synonyms

  • 5-Bicyclo(3,2,1)oct-2-en-2-yl-5-ethylbarbituric acid
  • 5-Bicyclo(3.2.1)oct-2-en-3-yl-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5-Ethyl-5-(bicyclo(3.2.1)octenyl)barbituric acid
  • Reposal
  • Reposal novo
  • Reposamal
  • UNII-3T5TIX1AYI
  • WT161

Systematic Names

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-bicyclo(3.2.1)oct-2-en-3-yl-5-ethyl- (9CI)
  • Barbituric acid, 5-bicyclo(3.2.1)oct-2-en-3-yl-5-ethyl-

Registry Numbers

CAS Registry Number

  • 3625-25-0

FDA UNII

  • 3T5TIX1AYI

System Generated Number

  • 0003625250

Structure Descriptors

InChI

1S/C14H18N2O3/c1-2-14(11(17)15-13(19)16-12(14)18)10-6-8-3-4-9(5-8)7-10/h6,8-9H,2-5,7H2,1H3,(H2,15,16,17,18,19)

InChIKey

MKELYWOVSPVORM-UHFFFAOYSA-N

Smiles

CCC1(C(=O)NC(=O)NC1=O)C2=CC3CCC(C3)C2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human LDLo unreported 1430ug/kg (1.43mg/kg)   "Ein Beitrag zum Kapitel der anorganischen Arsenvergiftung, Dissertation," Schaffer, K., Medizinischen Klinik Lindenburg der Universitat Koln, Fed. Rep. Ger., 1937Vol. -, Pg. -, 1937.
mouse LD50 intraperitoneal 175mg/kg (175mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 12, Pg. 389, 1962.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 213 deg C   EXP
log P (octanol-water) 2.53 (none)   EXP
Water Solubility 446 mg/L 25 EXP
Vapor Pressure 6.50E-13 mm Hg 25 EST
Henry's Law Constant 3.99E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.01E-10 cm3/molecule-sec 25 EST

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