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    Chemistry

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    Also known as: 61270-78-8, Monocid, Cefonicid disodium salt, Sk&f d-75073-z2, Cefonicide sodium, Cefonicid (sodium)
    Molecular Formula
    C18H16N6Na2O8S3
    Molecular Weight
    586.5  g/mol
    InChI Key
    NAXFZVGOZUWLEP-RFXDPDBWSA-L
    FDA UNII
    F74MFL78A1
    CEFONICID SODIUM
    A second-generation cephalosporin administered intravenously or intramuscularly. Its bactericidal action results from inhibition of cell wall synthesis. It is used for urinary tract infections, lower respiratory tract infections, and soft tissue and bone infections.
    1 2D Structure

    CEFONICID SODIUM

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    disodium;(6R,7R)-7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-8-oxo-3-[[1-(sulfonatomethyl)tetrazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
    2.1.2 InChI
    InChI=1S/C18H18N6O8S3.2Na/c25-13(9-4-2-1-3-5-9)14(26)19-11-15(27)24-12(17(28)29)10(6-33-16(11)24)7-34-18-20-21-22-23(18)8-35(30,31)32;;/h1-5,11,13,16,25H,6-8H2,(H,19,26)(H,28,29)(H,30,31,32);;/q;2*+1/p-2/t11-,13-,16-;;/m1../s1
    2.1.3 InChI Key
    NAXFZVGOZUWLEP-RFXDPDBWSA-L
    2.1.4 Canonical SMILES
    C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)O)C(=O)[O-])CSC4=NN=NN4CS(=O)(=O)[O-].[Na+].[Na+]
    2.1.5 Isomeric SMILES
    C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)O)C(=O)[O-])CSC4=NN=NN4CS(=O)(=O)[O-].[Na+].[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    F74MFL78A1
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Cefonicid

    2. Cefonicid Disodium Salt

    3. Cefonicid Monosodium

    4. Cefonicid Monosodium Salt

    5. Cefonicid, Sodium

    6. Monocid

    7. Sk And F 75073

    8. Sk And F-75073

    9. Sk And F75073

    10. Skf 75073 2

    11. Skf-75073-2

    12. Skf750732

    13. Sodium Cefonicid

    2.3.2 Depositor-Supplied Synonyms

    1. 61270-78-8

    2. Monocid

    3. Cefonicid Disodium Salt

    4. Sk&f D-75073-z2

    5. Cefonicide Sodium

    6. Cefonicid (sodium)

    7. Chebi:3492

    8. F74mfl78a1

    9. Sk&f-d-75073-z2

    10. (6r,7r)-7-((r)-mandelamido)-8-oxo-3-(((1-(sulfomethyl)-1-h-tetrazol-5-yl)thio)methyl)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid, Disodium Salt

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

    12. Monocid Sodium

    13. Cefonicid Sodium [usan]

    14. Cefonicid Disodium

    15. Ncgc00167458-01

    16. Skf 75073

    17. Unii-f74mfl78a1

    18. Cefonicid Sodium [usan:usp]

    19. Monocid (tn)

    20. Cefonicid Sodium (usp)

    21. Dsstox_cid_26642

    22. Dsstox_rid_81788

    23. Dsstox_gsid_46642

    24. Schembl41895

    25. 190181-58-9

    26. Cefonicid Sodium [vandf]

    27. Chembl1201005

    28. Dtxsid0046642

    29. Cefonicid Sodium [mart.]

    30. Cefonicid Sodium [usp-rs]

    31. Cefonicid Sodium [who-dd]

    32. Tox21_112462

    33. Cefonicid Disodium Salt [mi]

    34. Mfcd00941437

    35. Akos015896359

    36. Cefonicid Sodium [orange Book]

    37. Ccg-270152

    38. Cefonicid Sodium [usp Impurity]

    39. Sk&f D-75073-z(sub 2)

    40. Sk&f-d-75073-z(sub 2)

    41. 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid, 7-((hydroxyphenylacetyl)amino)-8-oxo-3-(((1-(sulfomethyl)-1h-tetrazol-5-yl)thio)methyl)disodium Salt, (6r-(6alpha,7beta(r*)))

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

    43. Cas-61270-78-8

    44. C08105

    45. C75868

    46. D00912

    47. A833136

    48. Q27106106

    49. 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid, 7-((hydroxyphenylacetyl)amino)-8-oxo-3-(((1-(sulfomethyl)-1h-tetrazol-5-yl)thio)methyl)disodium Salt, (6r-(6.alpha.,7.beta.(r*)))-

    50. Disodium 7-[(2-hydroxy-2-phenyl-acetyl)amino]-8-oxo-3-[[1-(sulfonatomethyl)tetrazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

    51. Sodium (6r,7r)-7-((r)-2-hydroxy-2-phenylacetamido)-8-oxo-3-(((1-(sulfonatomethyl)-1h-tetrazol-5-yl)thio)methyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

    52. Sodium (6r,7r)-7-((r)-2-hydroxy-2-phenylacetamido)-8-oxo-3-((1-(sulfonatomethyl)-1h-tetrazol-5-ylthio)methyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

    53. Sodium(6r,7r)-7-((r)-2-hydroxy-2-phenylacetamido)-8-oxo-3-(((1-(sulfonatomethyl)-1h-tetrazol-5-yl)thio)methyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 586.5 g/mol
    Molecular Formula C18H16N6Na2O8S3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count13
    Rotatable Bond Count7
    Exact Mass585.99871357 g/mol
    Monoisotopic Mass585.99871357 g/mol
    Topological Polar Surface Area270 Ų
    Heavy Atom Count37
    Formal Charge0
    Complexity980
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anti-Bacterial Agents

    Substances that inhibit the growth or reproduction of BACTERIA. (See all compounds classified as Anti-Bacterial Agents.)

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