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    Chemistry

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    Also known as: 4-methoxybenzyl 3-chloromethyl-7-(2-phenylacetamido)-3-cephem-4-carboxylate, Mfcd00191253, Schembl9097187, Dtxsid00869417, 4-methoxybenzyl 3-(chloromethyl)-7-(2-phenylacetamido)-3-cephem-4-carboxylate, Act03151
    Molecular Formula
    C24H23ClN2O5S
    Molecular Weight
    487.0  g/mol
    InChI Key
    KFCMZNUGNLCSJQ-UHFFFAOYSA-N
    Gcle:Intermediate For Cephalosporin
    1 2D Structure

    Gcle:Intermediate For Cephalosporin

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4-methoxyphenyl)methyl 3-(chloromethyl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
    2.1.2 InChI
    InChI=1S/C24H23ClN2O5S/c1-31-18-9-7-16(8-10-18)13-32-24(30)21-17(12-25)14-33-23-20(22(29)27(21)23)26-19(28)11-15-5-3-2-4-6-15/h2-10,20,23H,11-14H2,1H3,(H,26,28)
    2.1.3 InChI Key
    KFCMZNUGNLCSJQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CC=C(C=C1)COC(=O)C2=C(CSC3N2C(=O)C3NC(=O)CC4=CC=CC=C4)CCl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 4-methoxybenzyl 3-chloromethyl-7-(2-phenylacetamido)-3-cephem-4-carboxylate

    2. Mfcd00191253

    3. Schembl9097187

    4. Dtxsid00869417

    5. 4-methoxybenzyl 3-(chloromethyl)-7-(2-phenylacetamido)-3-cephem-4-carboxylate

    6. Act03151

    7. Bcp31228

    8. Akos015964643

    9. Ac-7598

    10. Ls-15044

    11. Sy059948

    12. Db-040515

    13. Ft-0602613

    14. 7-phenglacetamido-3-chloromethyl-3-cephem-4-carboxylic Acid P-methoxybenzyl Ester

    15. (4-methoxyphenyl)methyl 3-(chloromethyl)-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

    16. 3-(chloromethyl)-7-(phenylacetylamino)-8-oxo-1-aza-5-thiabicyclo[4.2.0]octa-2-ene-2-carboxylic Acid 4-methoxybenzyl Ester

    17. 4-methoxybenzyl 3-(chloromethyl)-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 487.0 g/mol
    Molecular Formula C24H23ClN2O5S
    XLogP32.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count9
    Exact Mass486.1016207 g/mol
    Monoisotopic Mass486.1016207 g/mol
    Topological Polar Surface Area110 Ų
    Heavy Atom Count33
    Formal Charge0
    Complexity777
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    ABOUT THIS PAGE

    Gcle:Intermediate For Cephalosporin Manufacturers | Traders | Suppliers

    Gcle:Intermediate For Cephalosporin Manufacturers, Traders, Suppliers 1
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    We have 4 companies offering Gcle:Intermediate For Cephalosporin

    Get in contact with the supplier of your choice:

    1. CSPC CENWAY TIANJIN PHARMACEUTICALS CO LTD
    2. Orchid Pharma
    3. Otsuka Chemical Co Ltd
    4. TIANJIN GENCOM PHARMACEUTICAL CO LTD
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