Edivoxetine hydrochlorideProduct ingredient for Edivoxetine
- Name
- Edivoxetine hydrochloride
- Drug Entry
- Edivoxetine
Edivoxetine is a drug which acts as a selective norepinephrine reuptake inhibitor and is currently under development by Eli Lilly for attention-deficit hyperactivity disorder (ADHD) and as an antidepressant treatment. Edivoxetine failed to be approved for major depressive disorder after phase III clinical trials in 2012.
- Accession Number
- DBSALT001261
- Structure
- Synonyms
- Edivoxetine HCl
- UNII
- CP012282EU
- CAS Number
- 1194374-05-4
- Weight
- Average: 375.87
Monoisotopic: 375.1612642 - Chemical Formula
- C18H27ClFNO4
- InChI Key
- WJDKGRLMNSHPON-CJRXIRLBSA-N
- InChI
- InChI=1S/C18H26FNO4.ClH/c1-22-16-3-2-15(19)10-13(16)11-18(21,14-4-7-23-8-5-14)17-12-20-6-9-24-17;/h2-3,10,14,17,20-21H,4-9,11-12H2,1H3;1H/t17-,18+;/m0./s1
- IUPAC Name
- (1R)-2-(5-fluoro-2-methoxyphenyl)-1-[(2S)-morpholin-2-yl]-1-(oxan-4-yl)ethan-1-ol hydrochloride
- SMILES
- Cl.COC1=CC=C(F)C=C1C[C@@](O)(C1CCOCC1)[C@@H]1CNCCO1
- External Links
- ChemSpider
- 28528360
- ChEMBL
- CHEMBL2105702
- Predicted Properties
Property Value Source Water Solubility 0.247 mg/mL ALOGPS logP 1.42 ALOGPS logP 1.36 Chemaxon logS -3.1 ALOGPS pKa (Strongest Acidic) 13.4 Chemaxon pKa (Strongest Basic) 8.14 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 59.95 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 88.63 m3·mol-1 Chemaxon Polarizability 35.32 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon