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Suanfarma Suanfarma

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    Technical details about Ibritumomab Tiuxetan, learn more about the structure, uses, toxicity, action, side effects and more

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    Ibritumomab Tiuxetan

    DOSSIERs // Finished Dosage Forms

    DIGITAL CONTENT

    PharmaCompass

    Inke S.A: APIs manufacturing plant.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    1. Also known as: Q635415
    Molecular Formula
    C24H35N5O11
    Molecular Weight
    569.6  g/mol
    InChI Key
    RTQWWZBSTRGEAV-PKHIMPSTSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[[(2S)-2-[bis(carboxymethyl)amino]-3-[4-(methylcarbamoylamino)phenyl]propyl]-[2-[bis(carboxymethyl)amino]propyl]amino]acetic acid
    2.1.2 InChI
    InChI=1S/C24H35N5O11/c1-15(28(11-20(32)33)12-21(34)35)8-27(10-19(30)31)9-18(29(13-22(36)37)14-23(38)39)7-16-3-5-17(6-4-16)26-24(40)25-2/h3-6,15,18H,7-14H2,1-2H3,(H,30,31)(H,32,33)(H,34,35)(H,36,37)(H,38,39)(H2,25,26,40)/t15?,18-/m0/s1
    2.1.3 InChI Key
    RTQWWZBSTRGEAV-PKHIMPSTSA-N
    2.1.4 Canonical SMILES
    CC(CN(CC(CC1=CC=C(C=C1)NC(=O)NC)N(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
    2.1.5 Isomeric SMILES
    CC(CN(C[C@H](CC1=CC=C(C=C1)NC(=O)NC)N(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Q635415

    2.3 Create Date
    2014-07-01
    3 Chemical and Physical Properties
    Molecular Weight 569.6 g/mol
    Molecular Formula C24H35N5O11
    XLogP3-7.1
    Hydrogen Bond Donor Count7
    Hydrogen Bond Acceptor Count14
    Rotatable Bond Count19
    Exact Mass569.23330695 g/mol
    Monoisotopic Mass569.23330695 g/mol
    Topological Polar Surface Area237 Ų
    Heavy Atom Count40
    Formal Charge0
    Complexity862
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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