fluvoxamine   

GtoPdb Ligand ID: 7189

Synonyms: Luvox® | U-23000
fluvoxamine is an approved drug (FDA (1994))
Compound class: Synthetic organic
Comment: Fluvoxamine is an antidepressant belonging to the selective serotonin reuptake inhibitor (SSRI) drug group.
Marketed formulations may contain fluvoxamine maleate (PubChem CID 9560989).
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 56.84
Molecular weight 318.16
XLogP 3.24
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES NCCON=C(c1ccc(cc1)C(F)(F)F)CCCCOC
Isomeric SMILES NCCO/N=C(/c1ccc(cc1)C(F)(F)F)\CCCCOC
InChI InChI=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+
InChI Key CJOFXWAVKWHTFT-XSFVSMFZSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1994))
IUPAC Name
(E)-(2-aminoethoxy)({5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene})amine
International Nonproprietary Names
INN number INN
3879 fluvoxamine
Synonyms
Luvox® | U-23000
Database Links
CAS Registry No. 54739-18-3
ChEBI CHEBI:5138
ChEMBL Ligand CHEMBL814
DrugBank Ligand DB00176
DrugCentral Ligand 1230
GtoPdb PubChem SID 178103764
PubChem CID 5324346
RCSB PDB Ligand FVX
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Wikipedia Fluvoxamine