Reposal

Base Information

• Chemical Name: Reposal
• CAS No.: 3625-25-0
• Molecular Formula: C14H18N2O3
• Molecular Weight: 262.3043
• UNII: 3T5TIX1AYI
• DSSTox Substance ID: DTXSID50877567
• Nikkaji Number: J54.473F
• Wikipedia: Reposal
• Wikidata: Q138339
• Metabolomics Workbench ID: 154585
• ChEMBL ID: CHEMBL505851
• Mol file: 3625-25-0.mol

Synonyms:Reposal;Reposamal;3625-25-0;Reposal novo;Reposal "novo";5-Ethyl-5-(bicyclo(3.2.1)octenyl)barbituric acid;UNII-3T5TIX1AYI;3T5TIX1AYI;5-Bicyclo(3,2,1)oct-2-en-2-yl-5-ethylbarbituric acid;BARBITURIC ACID, 5-BICYCLO(3.2.1)OCT-2-EN-3-YL-5-ETHYL-;5-(bicyclo[3.2.1]oct-2-en-3-yl)-5-ethylpyrimidine-2,4,6(1H,3H,5H)-trione;5-Bicyclo(3.2.1)oct-2-en-3-yl-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione;2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-bicyclo(3.2.1)oct-2-en-3-yl-5-ethyl-;WT 161;Reposal Novo;Barbituric acid, 5-bicyclo[3.2.1]oct-2-en-3-yl-5-ethyl-;2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-bicyclo[3.2.1]oct-2-en-3-yl-5-ethyl-;REPOSAL [MI];5-(3-bicyclo[3.2.1]oct-3-enyl)-5-ethyl-1,3-diazinane-2,4,6-trione;CHEMBL505851;SCHEMBL1652673;DTXSID50877567;CHEBI:135079;AKOS040747370;DB13805;LS-23822;Q138339;BICYCLO-OCT-EN-YL-ETHYLBARBITURIC ACID [WHO-DD];5-(3-bicyclo[3.2.1]oct-2-enyl)-5-ethyl-1,3-diazinane-2,4,6-trione;2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-BICYCLO(3.2.1)OCT-2-EN- 3-YL-5-ETHYL-;5-BICYCLO(3.2.1)OCT-2-EN-3-YL-5-ETHYL-2,4,6(1H,3H,5H)- PYRIMIDINETRIONE

Chemical Property of Reposal

Chemical Property:

• Melting Point: 213°
• Refractive Index: 1.5500 (estimate)
• Boiling Point: °Cat760mmHg
• PKA: 7.4-7.5(at 25℃)
• Flash Point: °C
• PSA: 82.25000
• Density: 1.237g/cm³
• LogP: 2.04700
• Water Solubility.: 440.7mg/L(25 oC)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 262.13174244
• Heavy Atom Count: 19
• Complexity: 475

Purity/Quality:

REPOSAL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1(C(=O)NC(=O)NC1=O)C2=CC3CCC(C3)C2