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    Teslexivir

    DIGITAL CONTENT

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Teslexivir [inn], 1075798-37-6, Sz91e95340, 4-[2-[2-(4-benzylphenyl)-2-(2-methyl-6-piperidin-1-ylphenyl)hydrazinyl]-2-oxoethyl]-5-bromo-2-methoxybenzoic acid, Benzeneacetic acid, 2-bromo-4-carboxy-5-methoxy-, 1-(2-(2-methyl-6-(1-piperidinyl)phenyl)-2-(4-(phenylmethyl)phenyl)hydrazide), Schembl15252044
    Molecular Formula
    C35H36BrN3O4
    Molecular Weight
    642.6  g/mol
    InChI Key
    IYWCUQWSZXLRNG-UHFFFAOYSA-N
    FDA UNII
    SZ91E95340
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[2-[2-(4-benzylphenyl)-2-(2-methyl-6-piperidin-1-ylphenyl)hydrazinyl]-2-oxoethyl]-5-bromo-2-methoxybenzoic acid
    2.1.2 InChI
    InChI=1S/C35H36BrN3O4/c1-24-10-9-13-31(38-18-7-4-8-19-38)34(24)39(28-16-14-26(15-17-28)20-25-11-5-3-6-12-25)37-33(40)22-27-21-32(43-2)29(35(41)42)23-30(27)36/h3,5-6,9-17,21,23H,4,7-8,18-20,22H2,1-2H3,(H,37,40)(H,41,42)
    2.1.3 InChI Key
    IYWCUQWSZXLRNG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C(=CC=C1)N2CCCCC2)N(C3=CC=C(C=C3)CC4=CC=CC=C4)NC(=O)CC5=CC(=C(C=C5Br)C(=O)O)OC
    2.2 Other Identifiers
    2.2.1 UNII
    SZ91E95340
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Teslexivir [inn]

    2. 1075798-37-6

    3. Sz91e95340

    4. 4-[2-[2-(4-benzylphenyl)-2-(2-methyl-6-piperidin-1-ylphenyl)hydrazinyl]-2-oxoethyl]-5-bromo-2-methoxybenzoic Acid

    5. Benzeneacetic Acid, 2-bromo-4-carboxy-5-methoxy-, 1-(2-(2-methyl-6-(1-piperidinyl)phenyl)-2-(4-(phenylmethyl)phenyl)hydrazide)

    6. Schembl15252044

    7. Unii-sz91e95340

    8. Hy-109045

    9. Cs-0031489

    2.4 Create Date
    2014-07-21
    3 Chemical and Physical Properties
    Molecular Weight 642.6 g/mol
    Molecular Formula C35H36BrN3O4
    XLogP38.1
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count10
    Exact Mass641.18892 g/mol
    Monoisotopic Mass641.18892 g/mol
    Topological Polar Surface Area82.1 Ų
    Heavy Atom Count43
    Formal Charge0
    Complexity886
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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