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    Technical details about Ifx-1, learn more about the structure, uses, toxicity, action, side effects and more

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    Ifx-1

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    2D Structure
    Also known as: Ifx-1, J3.560.481b
    Molecular Formula
    C43H60O6
    Molecular Weight
    672.9  g/mol
    InChI Key
    XZAPEHKCHWMSPW-MTALQEDYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(1R,3R)-4-[(15Z,17E)-16-formyl-18-(4-hydroxy-2,2,6,6-tetramethylcyclohexyl)-3,7,12-trimethyl-14-oxooctadeca-2,4,6,8,10,12,15,17-octaenylidene]-3-hydroxy-3,5,5-trimethylcyclohexyl] acetate
    2.1.2 InChI
    InChI=1S/C43H60O6/c1-30(17-14-18-31(2)19-21-39-42(9,10)27-37(49-33(4)45)28-43(39,11)48)15-12-13-16-32(3)23-35(46)24-34(29-44)20-22-38-40(5,6)25-36(47)26-41(38,7)8/h12-24,29,36-38,47-48H,25-28H2,1-11H3/b15-12?,16-13?,18-14?,22-20+,30-17?,31-19?,32-23?,34-24-,39-21?/t36?,37-,38?,43-/m1/s1
    2.1.3 InChI Key
    XZAPEHKCHWMSPW-MTALQEDYSA-N
    2.1.4 Canonical SMILES
    CC(=CC=CC(=CC=C1C(CC(CC1(C)O)OC(=O)C)(C)C)C)C=CC=CC(=CC(=O)C=C(C=CC2C(CC(CC2(C)C)O)(C)C)C=O)C
    2.1.5 Isomeric SMILES
    CC(=CC=CC(=CC=C1[C@](C[C@@H](CC1(C)C)OC(=O)C)(C)O)C)C=CC=CC(=CC(=O)/C=C(/C=C/C2C(CC(CC2(C)C)O)(C)C)\C=O)C
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Cacp 29

    2. Ifx-1

    3. Vilobelimab

    2.2.2 Depositor-Supplied Synonyms

    1. Ifx-1

    2. J3.560.481b

    2.3 Create Date
    2019-01-26
    3 Chemical and Physical Properties
    Molecular Weight 672.9 g/mol
    Molecular Formula C43H60O6
    XLogP39.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count13
    Exact Mass672.43898963 g/mol
    Monoisotopic Mass672.43898963 g/mol
    Topological Polar Surface Area101 Ų
    Heavy Atom Count49
    Formal Charge0
    Complexity1480
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count2
    Undefined Bond Stereocenter Count7
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Complement Inactivating Agents

    Compounds that negatively regulate the cascade process of COMPLEMENT ACTIVATION. Uncontrolled complement activation and resulting cell lysis is potentially dangerous for the host. (See all compounds classified as Complement Inactivating Agents.)