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    Dasotraline

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    DIGITAL CONTENT

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    2D Structure
    Also known as: 675126-05-3, (1r,4s)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine, (1r,4s)-trans-norsertraline, Norsertraline, (1r,4s)-trans-, Sep-225289, 4d28ey0l5t
    Molecular Formula
    C16H15Cl2N
    Molecular Weight
    292.2  g/mol
    InChI Key
    SRPXSILJHWNFMK-MEDUHNTESA-N
    FDA UNII
    4D28EY0L5T
    Dasotraline is a serotonin, norepinephrine and dopamine reuptake inhibitor (SNDRI) that is under investigation for the treatment of Binge Eating Disorder, Adult Attention Hyperactivity Disorder, Attention Deficit Hyperactivity Disorder, and Adult Attention Deficit Hyperactivity Disorder.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
    2.1.2 InChI
    InChI=1S/C16H15Cl2N/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13/h1-5,7,9,11,16H,6,8,19H2/t11-,16+/m0/s1
    2.1.3 InChI Key
    SRPXSILJHWNFMK-MEDUHNTESA-N
    2.1.4 Canonical SMILES
    C1CC(C2=CC=CC=C2C1C3=CC(=C(C=C3)Cl)Cl)N
    2.1.5 Isomeric SMILES
    C1C[C@H](C2=CC=CC=C2[C@@H]1C3=CC(=C(C=C3)Cl)Cl)N
    2.2 Other Identifiers
    2.2.1 UNII
    4D28EY0L5T
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine

    2.3.2 Depositor-Supplied Synonyms

    1. 675126-05-3

    2. (1r,4s)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine

    3. (1r,4s)-trans-norsertraline

    4. Norsertraline, (1r,4s)-trans-

    5. Sep-225289

    6. 4d28ey0l5t

    7. Dasotraline [usan:inn]

    8. Unii-4d28ey0l5t

    9. Dasotraline [inn]

    10. Dasotraline (usan/inn)

    11. Dasotraline [usan]

    12. Dasotraline [who-dd]

    13. Schembl263142

    14. Dasotraline(sep-225289)

    15. Dasotraline; Sep 225289

    16. Gtpl8308

    17. Chembl3301595

    18. Dtxsid20217855

    19. Bcp24754

    20. Ex-a2622

    21. Zinc2510873

    22. Dasotraline(sep-225289) Free Base

    23. Db12305

    24. Sep-225,289

    25. Ac-36184

    26. Hy-12850

    27. Cs-0012724

    28. D10700

    29. A857937

    30. Q27076989

    31. (1r,4s)-4-(3,4-dichloro-phenyl)-1,2,3,4-tetrahydro-naphthalen-1-ylamine

    32. 4beta-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalene-1alpha-amine

    33. 1-naphthalenamine, 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-, (1r,4s)-

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 292.2 g/mol
    Molecular Formula C16H15Cl2N
    XLogP34.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass291.0581549 g/mol
    Monoisotopic Mass291.0581549 g/mol
    Topological Polar Surface Area26 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity309
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 Mechanism of Action

    Dasotraline has been shown in preclinical studies to be a potent and balanced reuptake inhibitor of serotonin, norepinephrine and dopamine (SNDRI). Serotonin, norepinephrine and dopamine are neurotransmitters associated with depression. There are currently no marketed treatments for depression that inhibit reuptake of all three neurotransmitters.