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Vanoxerine dihydrochloride

CAT: 0931-T7153-01Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T7153-01Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
67469-78-7
Target
Dopamine Receptor
Related Pathways
GPCR/G Protein, Neuroscience
Purity
0.9835
Bioactivity
Vanoxerine dihydrochloride (GBR-12909 dihydrochloride) is a potent inhibitor of dopamine uptake (IC50: 1-51 nM) .
Smiles
Cl.Cl.Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Molecular Formula
C28H34Cl2F2N2O
Molecular Weight
523.49
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Vanoxerine dihydrochloride

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+).

CAS Number67469-78-7
PubChem CID104920
IUPAC Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
Molecular FormulaC28H34Cl2F2N2O
Molecular Weight523.5
Topological Polar Surface Area15.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count35
Formal Charge0
Complexity498
SMILES
C1CN(CCN1CCCC2=CC=CC=C2)CCOC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.Cl.Cl
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
InChIKey
MIBSKSYCRFWIRU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vanoxerine dihydrochloride
CAS: 67469-78-7
CID: 104920
Formula: C28H34Cl2F2N2O
MW: 523.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight523.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass522.2016254
Monoisotopic Mass522.2016254
Topological Polar Surface Area15.7 Ų
Heavy Atom Count35
Formal Charge0
Complexity498
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

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B3248-10Vanoxerine dihydrochloride
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HY-13217R-01Vanoxerine (dihydrochloride) (Standard)
A10725-50Vanoxerine Dihydrochloride 50mg
A10725-100Vanoxerine Dihydrochloride 100mg
A10725-25Vanoxerine Dihydrochloride 25mg
A10725-10Vanoxerine Dihydrochloride 10mg
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