Edivoxetine hydrochlorideProduct ingredient for Edivoxetine

Show full entry 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.

See full entry for Edivoxetine
Accession Number
DBSALT001261
Structure
Similar Structures
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
ChemSpider
28528360
ChEMBL
CHEMBL2105702
Predicted Properties
PropertyValueSource
Water Solubility0.247 mg/mLALOGPS
logP1.42ALOGPS
logP1.36Chemaxon
logS-3.1ALOGPS
pKa (Strongest Acidic)13.4Chemaxon
pKa (Strongest Basic)8.14Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area59.95 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity88.63 m3·mol-1Chemaxon
Polarizability35.32 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon