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    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
    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

    Cefetamet Pivoxil Hydrochloride

    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

    API SUPPLIERS

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    01

    Nishchem International Pvt. Ltd

    India

    USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

    BioProcess International
    Not Confirmed
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    02

    Freemen Nutra

    China

    USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

    BioProcess International
    Not Confirmed
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