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    CAS 61718-82-9

    PharmaCompass
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    2D Structure
    Also known as: (e)-5-methoxy-1-(4-(trifluoromethyl)phenyl)pentan-1-one o-(2-aminoethyl) oxime maleate, Fluvoxamin e, Mk-264, (e)-fluvoxamine maleate, Fluvoxamine-[d4] maleate, Du-23000 (maleate)
    Molecular Formula
    C19H25F3N2O6
    Molecular Weight
    434.4  g/mol
    InChI Key
    LFMYNZPAVPMEGP-SHNAKOFWSA-N
    Fluvoxamine Maleate is the maleate salt form of fluvoxamine, a 2-aminoethyl oxime ether of aralkylketones, with antidepressant, antiobsessive-compulsive, and antibulimic activities. Fluvoxamine blocks serotonin reuptake by inhibiting the serotonin reuptake pump of the presynaptic neuronal membrane leading to an increase of serotonin levels within the synaptic cleft. This results in facilitated serotonergic transmission and decreased serotonin turnover leading to antidepressant and antiobsessive-compulsive effects.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (Z)-but-2-enedioic acid;2-[(Z)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine
    2.1.2 InChI
    InChI=1S/C15H21F3N2O2.C4H4O4/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18;5-3(6)1-2-4(7)8/h5-8H,2-4,9-11,19H2,1H3;1-2H,(H,5,6)(H,7,8)/b20-14-;2-1-
    2.1.3 InChI Key
    LFMYNZPAVPMEGP-SHNAKOFWSA-N
    2.1.4 Canonical SMILES
    COCCCCC(=NOCCN)C1=CC=C(C=C1)C(F)(F)F.C(=CC(=O)O)C(=O)O
    2.1.5 Isomeric SMILES
    COCCCC/C(=N/OCCN)/C1=CC=C(C=C1)C(F)(F)F.C(=C\C(=O)O)\C(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. (e)-5-methoxy-1-(4-(trifluoromethyl)phenyl)pentan-1-one O-(2-aminoethyl) Oxime Maleate

    2. Fluvoxamin E

    3. Mk-264

    4. (e)-fluvoxamine Maleate

    5. Fluvoxamine-[d4] Maleate

    6. Du-23000 (maleate)

    7. Akos015855869

    8. Ks-1063

    9. Lp00495

    10. 1-pentanone, 5-methoxy-1-[4-(trifluoromethyl)phenyl]-, O-(2-aminoethyl)oxime, (1e)-, (2z)-2-butenedioate (1:1)

    11. Q27262521

    12. (e)-5-methoxy-1-(4-(trifluoromethyl)phenyl)pentan-1-one O-2-aminoethyl Oxime Maleate

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 434.4 g/mol
    Molecular Formula C19H25F3N2O6
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count11
    Exact Mass434.16647101 g/mol
    Monoisotopic Mass434.16647101 g/mol
    Topological Polar Surface Area131 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity446
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count2
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 FDA Pharmacological Classification
    4.1.1 Pharmacological Classes
    Serotonin Uptake Inhibitors [MoA]; Serotonin Reuptake Inhibitor [EPC]