Lomerizine

Base Information

• Chemical Name: Lomerizine
• CAS No.: 101477-55-8
• Molecular Formula: C27H30F2N2O3
• Molecular Weight: 468.54
• UNII: DEE37CY4VO
• DSSTox Substance ID: DTXSID6048387
• Nikkaji Number: J247.019E
• Wikipedia: Lomerizine
• Wikidata: Q6669453
• NCI Thesaurus Code: C66029
• Pharos Ligand ID: LUWW1WCBT3M7
• Metabolomics Workbench ID: 154770
• ChEMBL ID: CHEMBL29188
• Mol file: 101477-55-8.mol

Synonyms:1-(bis(4-fluorophenyl)methyl)-4-(2,3,4-trimethoxybenzyl)piperazine dihydrochloride;KB 2796;KB-2796;lomerizine;lomerizine dihydrochloride

Chemical Property of Lomerizine

Chemical Property:

• Vapor Pressure: 3.31E-11mmHg at 25°C
• Melting Point: 213-215ºC
• Boiling Point: 527.3°Cat760mmHg
• PKA: 6.17±0.10(Predicted)
• Flash Point: 272.7°C
• PSA: 34.17000
• Density: 1.203g/cm³
• LogP: 4.77360
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 468.22244915
• Heavy Atom Count: 34
• Complexity: 568

Purity/Quality:

99% ^*data from raw suppliers

Lomerizine ^*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)CN2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OC)OC
• Uses: antimigraine, cerebral vasodilator, Ca channel blocker