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    Centanafadine

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    INTERMEDIATES

    DIGITAL CONTENT

    PharmaCompass
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    2D Structure
    Also known as: 924012-43-1, Eb-1020 free base, D2a6t4uh9c, Dov 216,419 free base, Dov-216419, (1r,5s)-1-(2-naphthyl)-3-azabicyclo[3.1.0]hexane
    Molecular Formula
    C15H15N
    Molecular Weight
    209.29  g/mol
    InChI Key
    HKHCSWPSUSWGLI-CABCVRRESA-N
    FDA UNII
    D2A6T4UH9C
    Centanafadine is under investigation in clinical trial NCT02827513 (A Phase 1 Study to Investigate the Safety, Tolerance, Food Effect, Pharmacokinetics and Pharmacodynamics of Single and Multiple Doses of Extended Release Formulations of Centanafadine (CTN) in Young Healthy Subjects).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1R,5S)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane
    2.1.2 InChI
    InChI=1S/C15H15N/c1-2-4-12-7-13(6-5-11(12)3-1)15-8-14(15)9-16-10-15/h1-7,14,16H,8-10H2/t14-,15+/m1/s1
    2.1.3 InChI Key
    HKHCSWPSUSWGLI-CABCVRRESA-N
    2.1.4 Canonical SMILES
    C1C2C1(CNC2)C3=CC4=CC=CC=C4C=C3
    2.1.5 Isomeric SMILES
    C1[C@H]2[C@@]1(CNC2)C3=CC4=CC=CC=C4C=C3
    2.2 Other Identifiers
    2.2.1 UNII
    D2A6T4UH9C
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 924012-43-1

    2. Eb-1020 Free Base

    3. D2a6t4uh9c

    4. Dov 216,419 Free Base

    5. Dov-216419

    6. (1r,5s)-1-(2-naphthyl)-3-azabicyclo[3.1.0]hexane

    7. (1r,5s)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane

    8. Centanafadine (usan)

    9. Centanafadine [usan]

    10. Dov 216,419

    11. (1r,5s)-1-(naphthalen-2-yl)-3-azabicyclo(3.1.0)hexane

    12. (1r,5s)-1-(naphthalen-2-yl)-3-azabicyclo[3.1.0]hexane

    13. 3-azabicyclo(3.1.0)hexane, 1-(2-naphthalenyl)-, (1r,5s)-

    14. Unii-d2a6t4uh9c

    15. Centanafadine [usan:inn]

    16. Mfcd28902249

    17. Centanafadine [inn]

    18. Centanafadine (eb-1020)

    19. Centanafadine, (+)-

    20. Centanafadine [who-dd]

    21. Schembl4187417

    22. Chembl3301621

    23. Dtxsid201045788

    24. Ac7288

    25. Db14841

    26. Hy-16736

    27. Cs-0012333

    28. D10697

    29. Q27276010

    30. (1r,5s)-(+)-1-(naphthalen-2-yl)-3-azabicyclo[3.1.0]hexane

    2.4 Create Date
    2007-06-18
    3 Chemical and Physical Properties
    Molecular Weight 209.29 g/mol
    Molecular Formula C15H15N
    XLogP33
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass209.120449483 g/mol
    Monoisotopic Mass209.120449483 g/mol
    Topological Polar Surface Area12 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity287
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1