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    Cefetamet Pivoxil Hydrochloride

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    MARKET PLACE

    PharmaCompass
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    2D Structure
    Also known as: Cefetamet pivoxil hydrochloride, 111696-23-2, 2,2-dimethylpropanoyloxymethyl (6r,7r)-7-[[(2e)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrochloride, Ncgc00181788-01, Dsstox_cid_28516, Dsstox_rid_82788
    Molecular Formula
    C20H26ClN5O7S2
    Molecular Weight
    548.0  g/mol
    InChI Key
    XAAOHMIKXULDKJ-LZRHLYMTSA-N
    Cefetamet Pivoxil Hydrochloride is the hydrochloride salt form of cefetamet pivoxil, a pivalate ester prodrug form of a cefetamet. After oral administration of cefetamet pivoxil hydrochloride, the ester bond is cleaved, releasing active cefetamet.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrochloride
    2.1.2 InChI
    InChI=1S/C20H25N5O7S2.ClH/c1-9-6-33-16-12(23-14(26)11(24-30-5)10-7-34-19(21)22-10)15(27)25(16)13(9)17(28)31-8-32-18(29)20(2,3)4;/h7,12,16H,6,8H2,1-5H3,(H2,21,22)(H,23,26);1H/b24-11+;/t12-,16-;/m1./s1
    2.1.3 InChI Key
    XAAOHMIKXULDKJ-LZRHLYMTSA-N
    2.1.4 Canonical SMILES
    CC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)OCOC(=O)C(C)(C)C.Cl
    2.1.5 Isomeric SMILES
    CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N/OC)/C3=CSC(=N3)N)SC1)C(=O)OCOC(=O)C(C)(C)C.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Cefetamet Pivoxil Hydrochloride

    2. 111696-23-2

    3. 2,2-dimethylpropanoyloxymethyl (6r,7r)-7-[[(2e)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrochloride

    4. Ncgc00181788-01

    5. Dsstox_cid_28516

    6. Dsstox_rid_82788

    7. Dsstox_gsid_48590

    8. Chembl2355376

    9. Dtxsid1048590

    10. Tox21_112919

    11. Akos032949665

    12. Cas-111696-23-2

    13. Q27114287

    14. Toluene-4-sulfonicacid(s)-1-chlorocarbonyl-ethylester

    15. (pivaloyloxy)methyl (6r,7r)-7-((z)-2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Hydrochloride

    16. Cefetamet Pivoxil Hydrochloride; (6r,7r)-7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid (2,2-dimethyl-1-oxopropoxy)methyl Ester Hydrochloride

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 548.0 g/mol
    Molecular Formula C20H26ClN5O7S2
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count10
    Exact Mass547.0962182 g/mol
    Monoisotopic Mass547.0962182 g/mol
    Topological Polar Surface Area216 Ų
    Heavy Atom Count35
    Formal Charge0
    Complexity933
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2