Pinokalant

Base Information

• Chemical Name: Pinokalant
• CAS No.: 149759-26-2
• Molecular Formula: C41H48 N2 O9
• Molecular Weight: 712.83
• UNII: 7J9ZZ971AO
• DSSTox Substance ID: DTXSID7048401
• Nikkaji Number: J1.684.516G
• Wikidata: Q27268408
• NCI Thesaurus Code: C75133
• ChEMBL ID: CHEMBL1557889
• Mol file: 149759-26-2.mol

Synonyms:(3,4-dihydro-6,7-dimethoxyisoquinoline-1-gamma-1)-2-phenyl-N,N-di(2-(2,3,4-trimethoxyphenyl)ethyl)acetamide;LOE 908;LOE-908

Chemical Property of Pinokalant

Chemical Property:

• Vapor Pressure: 7.33E-26mmHg at 25°C
• Boiling Point: 803.7°Cat760mmHg
• PKA: 5.47±0.20(Predicted)
• Flash Point: 439.9°C
• PSA: 106.51000
• Density: 1.17g/cm³
• LogP: 6.43600
• Storage Temp.: Desiccate at RT
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 17
• Exact Mass: 712.33598111
• Heavy Atom Count: 52
• Complexity: 1060

Purity/Quality:

97% ^*data from raw suppliers

LOE 908 hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=C(C=C1)CCN(CCC2=C(C(=C(C=C2)OC)OC)OC)C(=O)C(C3=CC=CC=C3)C4=NCCC5=CC(=C(C=C54)OC)OC)OC)OC
• Uses: LOE 908 Hydrochloride is a isoquinoline derivative and a cation channel blocker. LOE 908 Hydrochloride is a neuroprotective agent.