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    Cefamandole Sodium Salt

    ACTIVE PHARMA INGREDIENTS

    INTERMEDIATES

    FINISHED DOSAGE FORMULATIONS

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    2D Structure
    Also known as: 30034-03-8, Cefamandole sodium salt, Sodium cefamandole, Cefamandole (sodium), Cefamandole sodium [jan], Iy6234odvr
    Molecular Formula
    C18H17N6NaO5S2
    Molecular Weight
    484.5  g/mol
    InChI Key
    OJMNTWPPFNMOCJ-CFOLLTDRSA-M
    FDA UNII
    IY6234ODVR
    Cefamandole Sodium is the sodium salt form of cefamandole, a beta-lactam, second-generation cephalosporin antibiotic with bactericidal activity. Cefamandole binds to and inactivates penicillin-binding proteins (PBP) located on the inner membrane of the bacterial cell wall. 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-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
    2.1.2 InChI
    InChI=1S/C18H18N6O5S2.Na/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9;/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29);/q;+1/p-1/t11-,13-,16-;/m1./s1
    2.1.3 InChI Key
    OJMNTWPPFNMOCJ-CFOLLTDRSA-M
    2.1.4 Canonical SMILES
    CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(C4=CC=CC=C4)O)SC2)C(=O)[O-].[Na+]
    2.1.5 Isomeric SMILES
    CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)[C@@H](C4=CC=CC=C4)O)SC2)C(=O)[O-].[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    IY6234ODVR
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 30034-03-8

    2. Cefamandole Sodium Salt

    3. Sodium Cefamandole

    4. Cefamandole (sodium)

    5. Cefamandole Sodium [jan]

    6. Iy6234odvr

    7. Mls000069575

    8. Chebi:34614

    9. Kefdole

    10. Nsc-758169

    11. Monosodium (6r,7r)-7-(r)-mandelamido-3-(((1-methyl-1-h-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate

    12. Smr000058843

    13. Cefamandole Sodium (jan)

    14. Cephamandole Sodium

    15. Unii-iy6234odvr

    16. Cefamandole Sodium [usp:jan]

    17. Prestwick_23

    18. Ncgc00017101-01

    19. Einecs 250-009-0

    20. Kefdole (tn)

    21. Cas-30034-03-8

    22. Opera_id_59

    23. Cephamandole Sodium Salt

    24. Sodium;(6r,7r)-7-[[(2r)-2-hydroxy-2-phenylacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

    25. Cefamandolesodiumsalt

    26. Dsstox_cid_25579

    27. Dsstox_rid_80975

    28. Dsstox_gsid_45579

    29. Chembl1360024

    30. Dtxsid2045579

    31. Hy-b1128a

    32. Hms1570e16

    33. Hms2097e16

    34. Hms2235i03

    35. Cefamandole Sodium [mart.]

    36. Cefamandole Sodium [who-dd]

    37. Tox21_110777

    38. Akos015967200

    39. Akos024288585

    40. Cs-5991

    41. Nsc 758169

    42. Sodium (6r-(6alpha,7beta(r*)))-7-((hydroxyphenylacetyl)amino)-3-(((1-methyl-1h-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate

    43. C-2463

    44. D02191

    45. Q27116182

    46. Cefamandole Sodium Salt, Antibiotic For Culture Media Use Only

    47. 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid, 7-((hydroxyphenylacetyl)amino)-3-(((1-methyl-1h-tetrazol-5-yl)thio)methyl)-8-oxo-, (6r-(6a,7b(r*)))-, Monosodium Salt

    48. 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid, 7-((hydroxyphenylacetyl)amino)-3-(((1-methyl-1h-tetrazol-5-yl)thio)methyl)-8-oxo-, (6r-(6alpha,7beta(r*)))-, Monosodium Salt

    49. 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid, 7-mandelamido-3-(((1-methyl-1h-tetrazol-5-yl)thio)methyl)-8-oxo-, Monosodium Salt, D-

    50. 7beta-(d-mandel-amido)-3-(1-methyl-1h-tetrazol-5-yl)thiomethyl-3-cephem-4-carboxylic Acid Sodium Salt

    51. 7beta-(d-mandelamido)-3-(1-methyl-1h-tetrazol-5-yl)thiomethyl-3-cephem-4-carboxylic Acid Sodium Salt

    52. Sodium (6r,7r)-7-{[(2r)-2-hydroxy-2-phenylacetyl]amino}-3-{[(1-methyl-1h-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

    53. Sodium 7beta-[(2r)-2-hydroxy-2-phenylacetamido]-3-{[(1-methyl-1h-tetrazol-5-yl)sulfanyl]methyl}ceph-3-em-4-carboxylate

    2.4 Create Date
    2008-02-05
    3 Chemical and Physical Properties
    Molecular Weight 484.5 g/mol
    Molecular Formula C18H17N6NaO5S2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count7
    Exact Mass484.05995429 g/mol
    Monoisotopic Mass484.05995429 g/mol
    Topological Polar Surface Area204 Ų
    Heavy Atom Count32
    Formal Charge0
    Complexity783
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2