Oxagrelate

Base Information

• Chemical Name: Oxagrelate
• CAS No.: 56611-65-5
• Molecular Formula: C₁₄H₁₆N₂O₄
• Molecular Weight: 276.292
• NSC Number: 305351
• UNII: V17MYO89WO
• DSSTox Substance ID: DTXSID9023469
• Nikkaji Number: J22.278J
• Wikidata: Q27291400
• NCI Thesaurus Code: C80614
• ChEMBL ID: CHEMBL153427
• Mol file: 56611-65-5.mol

Synonyms:EG 626;EG-266;phthalazinol

Chemical Property of Oxagrelate

Chemical Property:

• Melting Point: 174°C
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 419.2°C (rough estimate)
• PKA: 11.86±0.40(Predicted)
• PSA: 92.28000
• Density: 1.34g/cm³
• LogP: 1.20890
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 276.11100700
• Heavy Atom Count: 20
• Complexity: 435

Purity/Quality:

99%, ^*data from raw suppliers

Oxagrelate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C2=C(C=C1C)C(=NNC2=O)CO)C
• Uses: Oxagrelate is a new cyclic AMP phosphodiesterase inhibitor that according to biological studies increased femoral, renal, coronary, carotid, vertebral and sagittal blood flows in anesthetized dogs. Oxagrelate is also shown to act as an antiatherosclerotic and antiaggregatory agent.