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    Cefalonium

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    MARKET PLACE

    REF. STANDARDS & IMPURITIES

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    2D Structure
    Also known as: Cephalonium, 5575-21-3, Nsc-759292, Cefalonum, Cefalonium hydrate, K2p920217w
    Molecular Formula
    C20H18N4O5S2
    Molecular Weight
    458.5  g/mol
    InChI Key
    FMZXNVLFJHCSAF-DNVCBOLYSA-N
    FDA UNII
    K2P920217W
    Cefalonium is a first-generation semi-synthetic cephalosporin antibiotic with activity against aerobic gram-positive and some community-acquired gram-negative bacteria. Cefalonium is used in veterinary medicine.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
    2.1.2 InChI
    InChI=1S/C20H18N4O5S2/c21-17(26)11-3-5-23(6-4-11)9-12-10-31-19-15(18(27)24(19)16(12)20(28)29)22-14(25)8-13-2-1-7-30-13/h1-7,15,19H,8-10H2,(H3-,21,22,25,26,28,29)/t15-,19-/m1/s1
    2.1.3 InChI Key
    FMZXNVLFJHCSAF-DNVCBOLYSA-N
    2.1.4 Canonical SMILES
    C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)[O-])C[N+]4=CC=C(C=C4)C(=O)N
    2.1.5 Isomeric SMILES
    C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CS3)C(=O)[O-])C[N+]4=CC=C(C=C4)C(=O)N
    2.2 Other Identifiers
    2.2.1 UNII
    K2P920217W
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Cephalonium

    2. Cepravin D.c.

    3. Cepravin Dry Cow

    2.3.2 Depositor-Supplied Synonyms

    1. Cephalonium

    2. 5575-21-3

    3. Nsc-759292

    4. Cefalonum

    5. Cefalonium Hydrate

    6. K2p920217w

    7. (6r,7r)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

    8. Dsstox_cid_25388

    9. Dsstox_rid_80845

    10. Dsstox_gsid_45388

    11. Cefalonium [inn]

    12. Cefalonio

    13. Cefalonium [inn-latin]

    14. Cefalonio [inn-spanish]

    15. Lilly 41071

    16. (6r,7r)-3-((4-carbamoylpyridin-1-ium-1-yl)methyl)-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

    17. Cefalonium [inn:ban]

    18. Einecs 226-948-7

    19. Brn 4169337

    20. Unii-k2p920217w

    21. Ncgc00016657-01

    22. Cefalonium (ban)

    23. Cas-5575-21-3

    24. Cepravin Dry Cow (tn)

    25. Cefalonium [jan]

    26. Cephalonium [mi]

    27. Cefalonium [mart.]

    28. 7-(alpha-thienylacetamido)-3-(4-carbamoylpyridinomethyl)-3-cephem-4-carboxylic Acid

    29. (6r,7r)-3-(4-(4-carbamoyl-1-pyridiniomethyl)-8-oxo-7-(2-(2-thienyl)acetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carboxylat

    30. 3-(4-carbamoylpyridylmethyl)-8-oxo-7-(alpha-(thien-2-yl)acetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-en-2carbonsaeure

    31. Schembl125252

    32. Cephalonium [green Book]

    33. Chembl2105567

    34. Dtxsid5045388

    35. Chebi:95345

    36. Hms1571g13

    37. Hms2098g13

    38. Pharmakon1600-01505997

    39. Methyl3-isocyano-3-phenylpropionate

    40. Tox21_110548

    41. Nsc759292

    42. Akos026749802

    43. Tox21_110548_1

    44. Ccg-213999

    45. Db11385

    46. Nsc 759292

    47. Ncgc00179310-01

    48. Ncgc00179310-03

    49. Pyridinium, 4-carbamoyl-1-((2-carboxy-8-oxo-7-(2-(2-thienyl)acetamido)-5-thia-1-aza-bicyclo(4.2.0)oct-2-en-3-yl)methyl)- Hydroxide, Inner Salt

    50. Ab00513991

    51. D07634

    52. Ab00513991_02

    53. A830789

    54. Q5057218

    55. 3-(4-carbamoylpyridylmethyl)-8-oxo-7-(a-(thien-2-yl)acetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid

    56. 3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-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 458.5 g/mol
    Molecular Formula C20H18N4O5S2
    XLogP30.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count6
    Exact Mass458.07186203 g/mol
    Monoisotopic Mass458.07186203 g/mol
    Topological Polar Surface Area190 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity806
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1