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- ChemComp-FVX: Fluvoxamine -

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Basic information

EntryDatabase: PDB chemical components / ID: FVX
NameName: Fluvoxamine
Synonyms: 2-[({(1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene}amino)oxy]ethanamine
WikipediaWikipedia - Fluvoxamine:

Fluvoxamine, commonly sold under the brand names Luvox and Faverin, is an antidepressant of the selective serotonin reuptake inhibitor (SSRI) class. It is primarily used to treat major depressive disorder and obsessive–compulsive disorder (OCD), but is also used to treat anxiety disorders such as panic disorder, social anxiety disorder, and post-traumatic stress disorder.

Fluvoxamine's side-effect profile is very similar to other SSRIs: constipation, gastrointestinal problems, headache, anxiety, irritation, sexual problems, dry mouth, sleep problems and a risk of suicide at the start of treatment by lifting the psychomotor inhibition, but these effects appear to be significantly weaker than with other SSRIs (except gastrointestinal side-effects).

Although the many drug-drug interactions of fluvoxamine can be problematic (and may temper enthusiasm for its prescribing, advocation and usage to some), its tolerance-profile itself is actually superior in some respects to other SSRIs (particularly with respect to cardiovascular complications), despite its age...

Commentantidepressant, inhibitor*YM

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Chemical information

Composition
Formula: C15H21F3N2O2 / Number of atoms: 43 / Formula weight: 318.335 / Formal charge: 0
Others

4enh

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FVX / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4ENH
History
Create componentApr 23, 2012
Modify synonymsMar 1, 2021
External linksUniChem / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / GtoPharmacology / KEGG_Ligand / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01FC(F)(F)c1ccc(\C(=N\OCCN)CCCCOC)cc1
CACTVS 3.370COCCCCC(=NOCCN)c1ccc(cc1)C(F)(F)F
OpenEye OEToolkits 1.7.6COCCCCC(=NOCCN)c1ccc(cc1)C(F)(F)F

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SMILES CANONICAL

CACTVS 3.370COCCCC\C(=N/OCCN)c1ccc(cc1)C(F)(F)F
OpenEye OEToolkits 1.7.6COCCCC/C(=N\OCCN)/c1ccc(cc1)C(F)(F)F

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InChI

InChI 1.03InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+

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InChIKey

InChI 1.03CJOFXWAVKWHTFT-XSFVSMFZSA-N

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SYSTEMATIC NAME

ACDLabs 12.012-[({(1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene}amino)oxy]ethanamine
OpenEye OEToolkits 1.7.62-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine

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PDB entries

Showing all 3 items

PDB-4enh:
Crystal Structure of Human Cytochrome P450 CYP46A1 with Fluvoxamine Bound

PDB-4mm9:
Crystal structure of LeuBAT (delta13 mutant) in complex with fluvoxamine

PDB-6awp:
X-ray structure of the ts3 human serotonin transporter complexed with fluvoxamine at the central site

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