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    Cefovecin Sodium

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

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    2D Structure
    Also known as: Cefovecin sodium, Uk-287074-02, Cefovecin sodium salt, Chembl2104475, Ex-a3268, A936300
    Molecular Formula
    C17H18N5NaO6S2
    Molecular Weight
    475.5  g/mol
    InChI Key
    QRIBXVGHDLFNNE-BMCBYEKFSA-M
    Cefovecin Sodium is the sodium salt form of cefovecin, a semisynthetic, broad-spectrum, third-generation cephalosporin with antibacterial activity. Cefovecin binds to and inactivates penicillin-binding proteins (PBPs) located on the inner membrane of the bacterial cell wall. PBPs are enzymes involved in the terminal stages of assembling the bacterial cell wall and in reshaping the cell wall during growth and division. Inactivation of PBPs interferes with the cross-linkage of peptidoglycan chains necessary for bacterial cell wall strength and rigidity. This results in the weakening of the bacterial cell wall and causes cell lysis.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;(6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-[(2S)-oxolan-2-yl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
    2.1.2 InChI
    InChI=1S/C17H19N5O6S2.Na/c1-27-21-10(8-6-30-17(18)19-8)13(23)20-11-14(24)22-12(16(25)26)7(5-29-15(11)22)9-3-2-4-28-9;/h6,9,11,15H,2-5H2,1H3,(H2,18,19)(H,20,23)(H,25,26);/q;+1/p-1/b21-10+;/t9-,11+,15+;/m0./s1
    2.1.3 InChI Key
    QRIBXVGHDLFNNE-BMCBYEKFSA-M
    2.1.4 Canonical SMILES
    CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C4CCCO4)C(=O)[O-].[Na+]
    2.1.5 Isomeric SMILES
    CO/N=C(\C1=CSC(=N1)N)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)[C@@H]4CCCO4)C(=O)[O-].[Na+]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Cefovecin Sodium

    2. Uk-287074-02

    3. Cefovecin Sodium Salt

    4. Chembl2104475

    5. Ex-a3268

    6. A936300

    7. Q27114290

    8. Sodium (6r,7r)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-acetyl] Amino]-8-oxo-3-[(2s)-oxolan-2-yl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene- 2-carboxylate

    9. Sodium (6r,7r)-7-[2-(2-aminothiazol-4-yl)-2-(z)-methoxyiminoacetamido]-3-[(s) -tetrahydrofuran-2-yl]ceph-3-em-4-carboxylate

    10. Sodium (6r,7r)-7-[2-(2-aminothiazol-4-yl)-2-(z)-methoxyiminoacetamido]-3-[(s)-tetrahydrofuran-2-yl]ceph-3-em-4-carboxylate

    2.3 Create Date
    2008-02-05
    3 Chemical and Physical Properties
    Molecular Weight 475.5 g/mol
    Molecular Formula C17H18N5NaO6S2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count6
    Exact Mass475.05961994 g/mol
    Monoisotopic Mass475.05961994 g/mol
    Topological Polar Surface Area213 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity827
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2