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    Deudomperidone

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    DIGITAL CONTENT

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    2D Structure
    Also known as: Cin-102, Deudomperidone (usan), Deudomperidone [usan], 2121525-08-2, Hn0vib0w8w, Deudomperidone [inn]
    Molecular Formula
    C22H24ClN5O2
    Molecular Weight
    429.9  g/mol
    InChI Key
    FGXWKSZFVQUSTL-GYABSUSNSA-N
    FDA UNII
    HN0VIB0W8W
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[3-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-4,5,6,7-tetradeuterio-1H-benzimidazol-2-one
    2.1.2 InChI
    InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30)/i1D,2D,4D,5D
    2.1.3 InChI Key
    FGXWKSZFVQUSTL-GYABSUSNSA-N
    2.1.4 Canonical SMILES
    C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O
    2.1.5 Isomeric SMILES
    [2H]C1=C(C(=C2C(=C1[2H])NC(=O)N2CCCN3CCC(CC3)N4C5=C(C=C(C=C5)Cl)NC4=O)[2H])[2H]
    2.2 Other Identifiers
    2.2.1 UNII
    HN0VIB0W8W
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Cin-102

    2.3.2 Depositor-Supplied Synonyms

    1. Cin-102

    2. Deudomperidone (usan)

    3. Deudomperidone [usan]

    4. 2121525-08-2

    5. Hn0vib0w8w

    6. Deudomperidone [inn]

    7. Chembl4594380

    8. Hy-b0411s1

    9. Cs-0213547

    10. D11864

    11. 2h-benzimidazol-2-one-4,5,6,7-d4, 1-(3-(4-(5-chloro-2,3-dihydro-2-oxo-1h-benzimidazol-1-yl)-1-piperidinyl)propyl)-1,3-dihydro-

    12. 3-(3-(4-(5-chloro-2-oxo-3hbenzimidazol-1-yl)-1- Piperidyl)propyl)-4,5,6,7- Tetradeutero-1h-benzimidazol-2- One

    13. 3-[3-[4-(5-chloro-2-oxo-3h-benzimidazol-1-yl)piperidin-1-yl]propyl]-4,5,6,7-tetradeuterio-1h-benzimidazol-2-one

    2.4 Create Date
    2020-08-13
    3 Chemical and Physical Properties
    Molecular Weight 429.9 g/mol
    Molecular Formula C22H24ClN5O2
    XLogP33.9
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count5
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area67.9
    Heavy Atom Count30
    Formal Charge0
    Complexity655
    Isotope Atom Count4
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1