Vanoxerine hydrochlorideProduct ingredient for Vanoxerine
- Name
- Vanoxerine hydrochloride
- Drug Entry
- Vanoxerine
Vanoxerine is a highly selective dopamine transporter antagonist. It was synthesized in the late 1970s and developed as a potential treatment for depression.1 Vanoxerine was later evaluated as a potential treatment for cocaine addiction due to its ability to block dopamine reuptake with a slower dissociation rate than cocaine.3 Although several studies have suggested that the profile of vanoxerine is safer than that of cocaine,1,2 other studies have found that vanoxerine has at least moderate potential to be abused by humans.9 More recently, vanoxerine was tested as a potential anti-arrhythmic and anti-atrial fibrillatory agent due to its ability to block the hKV11.1 (hERG) cardiac potassium channel.4 Vanoxerine is an investigational drug and has not been approved for therapeutic use.
- Accession Number
- DBSALT001866
- Structure
- Synonyms
- Vanoxerine dihydrochloride / Vanoxerine HCl
- UNII
- MWO1IP03EV
- CAS Number
- 67469-78-7
- Weight
- Average: 523.49
Monoisotopic: 522.2016254 - Chemical Formula
- C28H34Cl2F2N2O
- InChI Key
- MIBSKSYCRFWIRU-UHFFFAOYSA-N
- InChI
- InChI=1S/C28H32F2N2O.2ClH/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23;;/h1-3,5-6,8-15,28H,4,7,16-22H2;2*1H
- IUPAC Name
- 1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-phenylpropyl)piperazine dihydrochloride
- SMILES
- Cl.Cl.FC1=CC=C(C=C1)C(OCCN1CCN(CCCC2=CC=CC=C2)CC1)C1=CC=C(F)C=C1
- External Links
- ChemSpider
- 94684
- ChEBI
- 64086
- ChEMBL
- CHEMBL543876
- Predicted Properties
Property Value Source Water Solubility 0.00139 mg/mL ALOGPS logP 4.9 ALOGPS logP 6.24 Chemaxon logS -5.5 ALOGPS pKa (Strongest Basic) 8.58 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 15.71 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 130.38 m3·mol-1 Chemaxon Polarizability 49.66 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule Yes Chemaxon