Edivoxetine

Base Information

• Chemical Name: Edivoxetine
• CAS No.: 1194508-25-2
• Molecular Formula: C18H26FNO4
• Molecular Weight: 339.4
• UNII: 3W9N3F4JOO
• DSSTox Substance ID: DTXSID70152464
• Wikipedia: Edivoxetine
• Wikidata: Q3047670
• NCI Thesaurus Code: C166706
• Metabolomics Workbench ID: 152219
• ChEMBL ID: CHEMBL2103857
• Mol file: 1194508-25-2.mol

Synonyms:alpha-((5-fluoro-2-methoxyphenyl)methyl)-alpha-(tetrahydro-2H-pyran-4-yl)-2-morpholinemethanol;edivoxetine;LY 2216684;LY-2216684;LY2216684

Chemical Property of Edivoxetine

Chemical Property:

• Boiling Point: 484.3±40.0 °C(Predicted)
• PKA: 13.62±0.29(Predicted)
• PSA: 59.95000
• Density: 1.198±0.06 g/cm3(Predicted)
• LogP: 1.85170
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 339.18458647
• Heavy Atom Count: 24
• Complexity: 393

Purity/Quality:

95% ^*data from raw suppliers

(R)-2-(5-Fluoro-2-methoxyphenyl)-1-((S)-morpholin-2-yl)-1-(tetrahydro-2H-pyran-4-yl)ethanol 95+% ^*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)F)CC(C2CCOCC2)(C3CNCCO3)O
• Isomeric SMILES: COC1=C(C=C(C=C1)F)C[C@]([C@@H]2CNCCO2)(C3CCOCC3)O
• Recent ClinicalTrials: A Study of Pediatric Participants With Attention Deficit/Hyperactivity Disorder
• Recent EU Clinical Trials: LY2216684 compared to Placebo as Adjunctive Therapy to SSRI in the Prevention of Symptom Re-emergence in Major Depressive Disorder