67469-78-7
Product Name:
Vanoxerine dihydrochloride
Formula:
C28H33ClF2N2O
Synonyms:
1-(2-[bis(4-Fluorophenyl)methoxy]ethyl)-4-(3-phenylpropyl)piperazine dihydrochloride;1-(2-Bis(4-fluorophenyl)methoxy)ethyl)-4-(3-phenylpropyl)piperazine Hydrochloride, Dopamine Active Transporter Inhibitor, GBR 12909, DAT Inhibitor, GBR 12909, GBR12909;GBR 12909 Dihydrochloride - CAS 67469-78-7 - Calbiochem
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COMPUTED DESCRIPTORS
| Molecular Weight | 523.5 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 10 |
| Exact Mass | 522.2016254 g/mol |
| Monoisotopic Mass | 522.2016254 g/mol |
| Topological Polar Surface Area | 15.7 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 498 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 3 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Vanoxerine dihydrochloride is a hydrochloride salt that is obtained by reaction of vanoxerine with two equivalents of hydrogen chloride. Potent, competitive inhibitor of dopamine uptake (Ki = 1 nM for inhibition of striatal dopamine uptake). Has > 100-fold lower affinity for the noradrenalin and 5-HT uptake carriers. Also a potent sigma ligand (IC50 = 48 nM). Centrally active following systemic administration. It has a role as a dopamine uptake inhibitor. It contains a vanoxerine(2+).