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    Technical details about Wy 50324, learn more about the structure, uses, toxicity, action, side effects and more

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    Wy 50324

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    2D Structure
    1. Also known as: Adatanserin hcl, Wy-50324 hcl, 144966-96-1, Adatanserin hydrochloride [usan], Wy 50324 hcl, Wy-50324-hcl
    Molecular Formula
    C21H32ClN5O
    Molecular Weight
    406.0  g/mol
    InChI Key
    PPHCXMVJHQJEAK-UHFFFAOYSA-N
    FDA UNII
    48BX75B06D
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]adamantane-1-carboxamide;hydrochloride
    2.1.2 InChI
    InChI=1S/C21H31N5O.ClH/c27-19(21-13-16-10-17(14-21)12-18(11-16)15-21)22-4-5-25-6-8-26(9-7-25)20-23-2-1-3-24-20;/h1-3,16-18H,4-15H2,(H,22,27);1H
    2.1.3 InChI Key
    PPHCXMVJHQJEAK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CN(CCN1CCNC(=O)C23CC4CC(C2)CC(C4)C3)C5=NC=CC=N5.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    48BX75B06D
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Adatanserin Hcl

    2. Wy-50324 Hcl

    3. 144966-96-1

    4. Adatanserin Hydrochloride [usan]

    5. Wy 50324 Hcl

    6. Wy-50324-hcl

    7. 48bx75b06d

    8. N-(2-(4-(2-pyrimidinyl)-1-piperazinyl)ethyl)-1-adamantanecarboxamide Monohydrochloride

    9. Adatanserin Hydrochloride (usan)

    10. Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxamide, N-(2-(4-(2-pyrimidinyl)-1-piperazinyl)ethyl)-, Monohydrochloride

    11. Unii-48bx75b06d

    12. Schembl120908

    13. Way-seb-324

    14. Chembl2107510

    15. Dtxsid60162855

    16. Seb-324

    17. Bdbm50544115

    18. D02767

    19. Q27259136

    20. N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]adamantane-1-carboxamide;hydrochloride

    2.4 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 406.0 g/mol
    Molecular Formula C21H32ClN5O
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count5
    Exact Mass405.2295384 g/mol
    Monoisotopic Mass405.2295384 g/mol
    Topological Polar Surface Area61.4 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity497
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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