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    Ypo0Ntk49O

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 72471-80-8, Ypo0ntk49o, Acetic acid;(3s,4r)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine, Unii-ypo0ntk49o, Schembl4200728, Dtxsid70222772
    Molecular Formula
    C21H24FNO5
    Molecular Weight
    389.4  g/mol
    InChI Key
    RQBJOWKBGCDPOS-RVXRQPKJSA-N
    FDA UNII
    YPO0NTK49O
    A serotonin uptake inhibitor that is effective in the treatment of depression.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    acetic acid;(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine
    2.1.2 InChI
    InChI=1S/C19H20FNO3.C2H4O2/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18;1-2(3)4/h1-6,9,14,17,21H,7-8,10-12H2;1H3,(H,3,4)/t14-,17-;/m0./s1
    2.1.3 InChI Key
    RQBJOWKBGCDPOS-RVXRQPKJSA-N
    2.1.4 Canonical SMILES
    CC(=O)O.C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4
    2.1.5 Isomeric SMILES
    CC(=O)O.C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4
    2.2 Other Identifiers
    2.2.1 UNII
    YPO0NTK49O
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Aropax

    2. Brl 29060

    3. Brl-29060

    4. Brl29060

    5. Fg 7051

    6. Fg-7051

    7. Fg7051

    8. Paroxetine

    9. Paroxetine Hydrochloride

    10. Paroxetine Hydrochloride Anhydrous

    11. Paroxetine Hydrochloride Hemihydrate

    12. Paroxetine Hydrochloride, Hemihydrate

    13. Paroxetine Maleate

    14. Paroxetine, Cis-(+)-isomer

    15. Paroxetine, Cis-(-)-isomer

    16. Paroxetine, Trans-(+)-isomer

    17. Paxil

    18. Seroxat

    2.3.2 Depositor-Supplied Synonyms

    1. 72471-80-8

    2. Ypo0ntk49o

    3. Acetic Acid;(3s,4r)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine

    4. Unii-ypo0ntk49o

    5. Schembl4200728

    6. Dtxsid70222772

    7. Paroxetine Acetate [who-dd]

    8. Q27294647

    9. Piperidine, 3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)-, (3s-trans)-, Acetate

    10. Piperidine, 3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)-, Acetate (1:1), (3s,4r)-

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 389.4 g/mol
    Molecular Formula C21H24FNO5
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count4
    Exact Mass389.16385103 g/mol
    Monoisotopic Mass389.16385103 g/mol
    Topological Polar Surface Area77 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity433
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antidepressive Agents, Second-Generation

    A structurally and mechanistically diverse group of drugs that are not tricyclics or monoamine oxidase inhibitors. The most clinically important appear to act selectively on serotonergic systems, especially by inhibiting serotonin reuptake. (See all compounds classified as Antidepressive Agents, Second-Generation.)

    Cytochrome P-450 CYP2D6 Inhibitors

    Drugs and compounds which inhibit or antagonize the biosynthesis or actions of CYTOCHROME P-450 CYP2D6. (See all compounds classified as Cytochrome P-450 CYP2D6 Inhibitors.)

    Selective Serotonin Reuptake Inhibitors

    Compounds that specifically inhibit the reuptake of serotonin in the brain. (See all compounds classified as Selective Serotonin Reuptake Inhibitors.)