Molecular Identity
Vanoxerine
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine
PubChem CID: 3455
Vanoxerine is an N-alkylpiperazine that consists of piperazine bearing 2-bis(4-fluorophenyl)methoxy]ethyl and 3-phenylpropyl groups at positions 1 and 4 respectively. 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 is an ether, an organofluorine compound, a N-alkylpiperazine and a tertiary amino compound. It is a conjugate base of a vanoxerine(2+).
2D Structure
Properties
C28H32F2N2O
Molecular Formula
450.60
Molecular Weight
g/mol
450.2483
Exact Mass
Da
5.6
XLogP
Above Lipinski threshold
15.7
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
5
H-Bond Acceptors
498
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Vanoxerine67469-69-6Gbr 12909VanoxerinaVanoxerinumVanoxeamineGBR-12909GBR129091-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine90X28IKH431-(2-(Bis(p-fluorophenyl)methoxy)ethyl)-4-(3-phenylpropyl)piperazine1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-phenylpropyl)piperazineDTXSID8045143CHEBI:640891-(2-(bis(4-fluorophenyl)methoxy)ethyl)-4-(3-phenylpropyl)piperazine
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Vanoxerine
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