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    Sarizotan

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    2D Structure
    Also known as: Sarizotan [inn], 351862-32-3, 467lu0ucuw, Emd-77697, 1-[(2r)-3,4-dihydro-2h-chromen-2-yl]-n-[[5-(4-fluorophenyl)pyridin-3-yl]methyl]methanamine, 1-(5-(4-fluorophenyl)pyridin-3-yl)-n-((2r)-3,4,4a,8a-tetrahydro-2h-chromen-2-ylmethyl)methanamine
    Molecular Formula
    C22H21FN2O
    Molecular Weight
    348.4  g/mol
    InChI Key
    HKFMQJUJWSFOLY-OAQYLSRUSA-N
    FDA UNII
    467LU0UCUW
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[(2R)-3,4-dihydro-2H-chromen-2-yl]-N-[[5-(4-fluorophenyl)pyridin-3-yl]methyl]methanamine
    2.1.2 InChI
    InChI=1S/C22H21FN2O/c23-20-8-5-17(6-9-20)19-11-16(12-24-14-19)13-25-15-21-10-7-18-3-1-2-4-22(18)26-21/h1-6,8-9,11-12,14,21,25H,7,10,13,15H2/t21-/m1/s1
    2.1.3 InChI Key
    HKFMQJUJWSFOLY-OAQYLSRUSA-N
    2.1.4 Canonical SMILES
    C1CC2=CC=CC=C2OC1CNCC3=CC(=CN=C3)C4=CC=C(C=C4)F
    2.1.5 Isomeric SMILES
    C1CC2=CC=CC=C2O[C@H]1CNCC3=CC(=CN=C3)C4=CC=C(C=C4)F
    2.2 Other Identifiers
    2.2.1 UNII
    467LU0UCUW
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Emd128130

    2. Sarizotan Hydrochloride

    2.3.2 Depositor-Supplied Synonyms

    1. Sarizotan [inn]

    2. 351862-32-3

    3. 467lu0ucuw

    4. Emd-77697

    5. 1-[(2r)-3,4-dihydro-2h-chromen-2-yl]-n-[[5-(4-fluorophenyl)pyridin-3-yl]methyl]methanamine

    6. 1-(5-(4-fluorophenyl)pyridin-3-yl)-n-((2r)-3,4,4a,8a-tetrahydro-2h-chromen-2-ylmethyl)methanamine

    7. 3-pyridinemethanamine, 5-(4-fluorophenyl)-n-(((2r)-3,4,4a,8a-tetrahydro-2h-1-benzopyran-2-yl)methyl)-

    8. Unii-467lu0ucuw

    9. (-)-(r)-n-(3,4-dihydro-2h-1-benzofuran-2-ylmethyl)-n-[5-(4-fluorophenyl)-3-pyridylmethyl]amine

    10. 195068-07-6

    11. Sarizotan [mi]

    12. Sarizotan [who-dd]

    13. Schembl120080

    14. Chembl220808

    15. Zinc21067

    16. Bdbm50027256

    17. Db06454

    18. Hy-100820

    19. Cs-0020461

    20. A1-26903

    21. Q7424144

    22. (r)-(+)-2-[5-(4-fluorphenyl)-3-pyridylmethylaminomethyl]-chromane

    23. (r)-(-)-2-[5-(4-fluorophenyl)-3-pyridylmethylaminomethyl]chroman

    24. (r)-1-(chroman-2-yl)-n-((5-(4-fluorophenyl)pyridin-3-yl)methyl)methanamine

    25. 3-pyridinemethanamine, N-(((2r)-3,4-dihydro-2h-1-benzopyran-2-yl)methyl)-5-(4-fluorophenyl)-

    2.4 Create Date
    2006-07-28
    3 Chemical and Physical Properties
    Molecular Weight 348.4 g/mol
    Molecular Formula C22H21FN2O
    XLogP34.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count5
    Exact Mass348.16379146 g/mol
    Monoisotopic Mass348.16379146 g/mol
    Topological Polar Surface Area34.2 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity426
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

    Investigated for use/treatment in schizophrenia and schizoaffective disorders and parkinson's disease.

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