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    Liafensine

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
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    2D Structure
    Also known as: Bms-820836, Liafensine [usan], 1198790-53-2, R34id086z6, Liafensine (usan), Liafensine [usan:inn]
    Molecular Formula
    C24H22N4
    Molecular Weight
    366.5  g/mol
    InChI Key
    VCIBGDSRPUOBOG-QFIPXVFZSA-N
    FDA UNII
    R34ID086Z6
    Liafensine is under investigation in clinical trial NCT00892840 (Multiple-Ascending Dose Study).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-[(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine
    2.1.2 InChI
    InChI=1S/C24H22N4/c1-28-14-20-13-19(23-10-11-24(25)27-26-23)8-9-21(20)22(15-28)18-7-6-16-4-2-3-5-17(16)12-18/h2-13,22H,14-15H2,1H3,(H2,25,27)/t22-/m0/s1
    2.1.3 InChI Key
    VCIBGDSRPUOBOG-QFIPXVFZSA-N
    2.1.4 Canonical SMILES
    CN1CC(C2=C(C1)C=C(C=C2)C3=NN=C(C=C3)N)C4=CC5=CC=CC=C5C=C4
    2.1.5 Isomeric SMILES
    CN1C[C@H](C2=C(C1)C=C(C=C2)C3=NN=C(C=C3)N)C4=CC5=CC=CC=C5C=C4
    2.2 Other Identifiers
    2.2.1 UNII
    R34ID086Z6
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 6-(2-methyl-4-(2-naphthyl)-1,2,3,4-tetrahydroisoquinolin-7-yl)pyridazin-3-amine

    2. Bms-820836

    2.3.2 Depositor-Supplied Synonyms

    1. Bms-820836

    2. Liafensine [usan]

    3. 1198790-53-2

    4. R34id086z6

    5. Liafensine (usan)

    6. Liafensine [usan:inn]

    7. Unii-r34id086z6

    8. Bms 820836

    9. Liafensine [inn]

    10. Liafensine [who-dd]

    11. Schembl1120067

    12. Chembl2364614

    13. Dtxsid60152610

    14. Chebi:177531

    15. Bdbm50459930

    16. Db14878

    17. D10443

    18. Q18353685

    19. (5)-6-(2-methyl-4-(naphthalen-2-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl)pyridazin-3-amine

    20. (s)-6-(2-methyl-4-(naphthalen-2-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl)pyridazin-3-amine

    21. 6-[(4s)-2-methyl-4-(2-naphthyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]pyridazin-3-amine

    22. 6-[(4s)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1h-isoquinolin-7-yl]pyridazin-3-amine

    23. 3-pyridazinamine, 6-((4s)-1,2,3,4-tetrahydro-2-methyl-4-(2-naphthalenyl)-7-isoquinolinyl)-

    24. 6-((4s)-2-methyl-4-(naphthalen-2-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl)pyridazin-3-amine

    2.4 Create Date
    2012-08-19
    3 Chemical and Physical Properties
    Molecular Weight 366.5 g/mol
    Molecular Formula C24H22N4
    XLogP33.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass366.18444672 g/mol
    Monoisotopic Mass366.18444672 g/mol
    Topological Polar Surface Area55 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity525
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1