fluvoxamine
2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine
Molecular Identity
fluvoxamine
2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine
PubChem CID: 5324346
Fluvoxamine is an oxime O-ether that is benzene substituted by a (1E)-N-(2-aminoethoxy)-5-methoxypentanimidoyl group at position 1 and a trifluoromethyl group at position 4. It is a selective serotonin reuptake inhibitor that is used for the treatment of obsessive-compulsive disorder. It has a role as an antidepressant, an anxiolytic drug and a serotonin uptake inhibitor. It is a 5-methoxyvalerophenone O-(2-aminoethyl)oxime and a member of (trifluoromethyl)benzenes. It is functionally related to a (trifluoromethyl)benzene.
2D Structure
Properties
C15H21F3N2O2
Molecular Formula
318.33
Molecular Weight
g/mol
318.1555
Exact Mass
Da
2.6
XLogP
Drug-like (Lipinski: < 5)
56.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
327
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
fluvoxamine54739-18-3FluvoxaminaFluvoxaminum2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamineO4L1XPO44WDTXSID2044002N06AB08CHEBI:5138DTXCID0024002Dumirox1-Pentanone, 5-methoxy-1-(4-(trifluoromethyl)phenyl)-, O-(2-aminoethyl)oxime, (E)-Nu FluvoxamineNovo FluvoxaminePMS Fluvoxamine
Data from PubChem (NCBI)
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