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    Technical details about Tegaserod Hydrogen Maleate, learn more about the structure, uses, toxicity, action, side effects and more

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    Tegaserod Hydrogen Maleate

    PRICE INFORMATION

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as:
    Molecular Formula
    C20H27N5O5
    Molecular Weight
    417.5  g/mol
    InChI Key
    KIJRKSHEIAFGBH-KSNCNXGASA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (Z)-but-2-enedioic acid;1-[[(Z)-(5-methoxyindol-3-ylidene)methyl]amino]-2-pentylguanidine
    2.1.2 InChI
    InChI=1S/C16H23N5O.C4H4O4/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15;5-3(6)1-2-4(7)8/h6-7,9-11,20H,3-5,8H2,1-2H3,(H3,17,18,21);1-2H,(H,5,6)(H,7,8)/b12-11+;2-1-
    2.1.3 InChI Key
    KIJRKSHEIAFGBH-KSNCNXGASA-N
    2.1.4 Canonical SMILES
    CCCCCN=C(N)NNC=C1C=NC2=C1C=C(C=C2)OC.C(=CC(=O)O)C(=O)O
    2.1.5 Isomeric SMILES
    CCCCCN=C(N)NN/C=C/1\C=NC2=C1C=C(C=C2)OC.C(=C\C(=O)O)\C(=O)O
    2.2 Create Date
    2006-07-28
    3 Chemical and Physical Properties
    Molecular Weight 417.5 g/mol
    Molecular Formula C20H27N5O5
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count10
    Exact Mass417.20121898 g/mol
    Monoisotopic Mass417.20121898 g/mol
    Topological Polar Surface Area159 A^2
    Heavy Atom Count30
    Formal Charge0
    Complexity551
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count2
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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