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    Ulotaront

    ACTIVE PHARMA INGREDIENTS

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    2D Structure
    Also known as: Sep-363856, Unii-3k6270mg59, Sep-856, 1310426-33-5, 1-[(7s)-5,7-dihydro-4h-thieno[2,3-c]pyran-7-yl]-n-methylmethanamine, 3k6270mg59
    Molecular Formula
    C9H13NOS
    Molecular Weight
    183.27  g/mol
    InChI Key
    ABDDQTDRAHXHOC-QMMMGPOBSA-N
    FDA UNII
    3K6270MG59
    SEP-363856 is a novel psychotropic drug being investigated for the treatment of schizophrenia. Unlike other drugs used for this condition, SEP-363856 does not bind to the dopamine D2 receptors, but exerts actions on the trace amineassociated receptor 1 (TAAR1) and 5-hydroxytryptamine type 1A (5-HT1A). SEP-363856 was developed by Sunovion pharmaceuticals. An initial clinical study has shown this drug may be effective against both positive and negative symptoms of schizophrenia. Negative symptoms of schizophrenia are more difficult to treat and may include flattened affect, anhedonia, and social withdrawal. Additional clinical trials of SEP-363856 are required to confirm the safety and efficacy of this drug.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine
    2.1.2 InChI
    InChI=1S/C9H13NOS/c1-10-6-8-9-7(2-4-11-8)3-5-12-9/h3,5,8,10H,2,4,6H2,1H3/t8-/m0/s1
    2.1.3 InChI Key
    ABDDQTDRAHXHOC-QMMMGPOBSA-N
    2.1.4 Canonical SMILES
    CNCC1C2=C(CCO1)C=CS2
    2.1.5 Isomeric SMILES
    CNC[C@H]1C2=C(CCO1)C=CS2
    2.2 Other Identifiers
    2.2.1 UNII
    3K6270MG59
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-((7s)-5,7-dihydro-4h-thieno(2,3-c)pyran-7-yl)-n-methylmethanamine

    2. Sep-363856

    2.3.2 Depositor-Supplied Synonyms

    1. Sep-363856

    2. Unii-3k6270mg59

    3. Sep-856

    4. 1310426-33-5

    5. 1-[(7s)-5,7-dihydro-4h-thieno[2,3-c]pyran-7-yl]-n-methylmethanamine

    6. 3k6270mg59

    7. 5h-thieno(2,3-c)pyran-7-methanamine, 4,7-dihydro-n-methyl-, (7s)-

    8. (s)-1-(5,7-dihydro-4h-thieno(2,3-c)pyran-7-yl)-n-methylmethanamine

    9. Ulotaront [inn]

    10. Chembl4650337

    11. Schembl14903737

    12. Gtpl10454

    13. Sep-363856 (parent Molecule)

    14. Sep363856

    15. Zinc205013646

    16. Hy-136109a

    17. Example 129 [wo2011069063a2]

    18. Cs-0119593

    19. 1-((7s)-4,7-dihydro-5h-thieno(2,3-c)pyran-7-yl)-nmethylmethanamine

    2.4 Create Date
    2015-02-13
    3 Chemical and Physical Properties
    Molecular Weight 183.27 g/mol
    Molecular Formula C9H13NOS
    XLogP30.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass183.07178521 g/mol
    Monoisotopic Mass183.07178521 g/mol
    Topological Polar Surface Area49.5 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity154
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1