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    Mesdopetam

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
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    2D Structure
    Also known as: Irl790, Irl-790, Hd4qv8gx26, 1403894-72-3, N-[2-(3-fluoro-5-methylsulfonylphenoxy)ethyl]propan-1-amine, 1-propanamine, n-(2-(3-fluoro-5-(methylsulfonyl)phenoxy)ethyl)-
    Molecular Formula
    C12H18FNO3S
    Molecular Weight
    275.34  g/mol
    InChI Key
    OSBPYFBXSLJHCR-UHFFFAOYSA-N
    FDA UNII
    HD4QV8GX26
    Mesdopetam is under investigation in clinical trial NCT04435431 (A Clinical Study of Mesdopetam in Patients With Parkinson's Disease Experiencing Levodopa Induced Dyskinesia).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[2-(3-fluoro-5-methylsulfonylphenoxy)ethyl]propan-1-amine
    2.1.2 InChI
    InChI=1S/C12H18FNO3S/c1-3-4-14-5-6-17-11-7-10(13)8-12(9-11)18(2,15)16/h7-9,14H,3-6H2,1-2H3
    2.1.3 InChI Key
    OSBPYFBXSLJHCR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCNCCOC1=CC(=CC(=C1)S(=O)(=O)C)F
    2.2 Other Identifiers
    2.2.1 UNII
    HD4QV8GX26
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Irl790

    2. N-(2-(3-fluoro-5-methylsulfonylphenoxy)ethyl)propan-1-amine

    2.3.2 Depositor-Supplied Synonyms

    1. Irl790

    2. Irl-790

    3. Hd4qv8gx26

    4. 1403894-72-3

    5. N-[2-(3-fluoro-5-methylsulfonylphenoxy)ethyl]propan-1-amine

    6. 1-propanamine, N-(2-(3-fluoro-5-(methylsulfonyl)phenoxy)ethyl)-

    7. Mesdopetam [inn]

    8. Unii-hd4qv8gx26

    9. Mesdopetam [who-dd]

    10. Chembl4594447

    11. Schembl13732678

    12. Gtpl10811

    13. Hy-109150

    14. Cs-0115974

    15. N-[2-(3-fluoro-5-methylsulfonyl-phenoxy)ethyl]propan-1-amine

    16. N-{2-[3-fluoro-5-(methylsulfonyl)phenoxy]ethyl}-n-propylamine

    2.4 Create Date
    2013-03-21
    3 Chemical and Physical Properties
    Molecular Weight 275.34 g/mol
    Molecular Formula C12H18FNO3S
    XLogP31.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count7
    Exact Mass275.09914277 g/mol
    Monoisotopic Mass275.09914277 g/mol
    Topological Polar Surface Area63.8 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity329
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Dopamine Antagonists

    Drugs that bind to but do not activate DOPAMINE RECEPTORS, thereby blocking the actions of dopamine or exogenous agonists. Many drugs used in the treatment of psychotic disorders (ANTIPSYCHOTIC AGENTS) are dopamine antagonists, although their therapeutic effects may be due to long-term adjustments of the brain rather than to the acute effects of blocking dopamine receptors. Dopamine antagonists have been used for several other clinical purposes including as ANTIEMETICS, in the treatment of Tourette syndrome, and for hiccup. Dopamine receptor blockade is associated with NEUROLEPTIC MALIGNANT SYNDROME. (See all compounds classified as Dopamine Antagonists.)