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    Falomesin

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 41136-22-5, Falomesin, Celoslin, Alomen, Ceftezole sodium [jan], 3nhz4y117h
    Molecular Formula
    C13H11N8NaO4S3
    Molecular Weight
    462.5  g/mol
    InChI Key
    UGUMHWUOXWFPFH-JHQAJZDGSA-M
    FDA UNII
    3NHZ4Y117H
    Ceftezole Sodium is the sodium salt form of ceftezole, a semi-synthetic first-generation cephalosporin with antibacterial activity.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;(6R,7R)-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
    2.1.2 InChI
    InChI=1S/C13H12N8O4S3.Na/c22-7(1-20-4-14-18-19-20)16-8-10(23)21-9(12(24)25)6(2-26-11(8)21)3-27-13-17-15-5-28-13;/h4-5,8,11H,1-3H2,(H,16,22)(H,24,25);/q;+1/p-1/t8-,11-;/m1./s1
    2.1.3 InChI Key
    UGUMHWUOXWFPFH-JHQAJZDGSA-M
    2.1.4 Canonical SMILES
    C1C(=C(N2C(S1)C(C2=O)NC(=O)CN3C=NN=N3)C(=O)[O-])CSC4=NN=CS4.[Na+]
    2.1.5 Isomeric SMILES
    C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CN3C=NN=N3)C(=O)[O-])CSC4=NN=CS4.[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    3NHZ4Y117H
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Ceftezol

    2. Ceftezol, Sodium Salt

    3. Ceftezole

    4. Celoslin

    5. Demethylcefazolin

    6. Falomesin

    2.3.2 Depositor-Supplied Synonyms

    1. 41136-22-5

    2. Falomesin

    3. Celoslin

    4. Alomen

    5. Ceftezole Sodium [jan]

    6. 3nhz4y117h

    7. 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid, 8-oxo-7-((1h-tetrazol-1-ylacetyl)amino)-3-((1,3,4-thiadiazol-2-ylthio)methyl)-, Monosodium Salt, (6r-trans)-

    8. Ceftezole Sodium (jan)

    9. Dsstox_cid_28520

    10. Dsstox_rid_82792

    11. Dsstox_gsid_48594

    12. Sodium (6r,7r)-3-(((1,3,4-thiadiazol-2-yl)thio)methyl)-7-(2-(1h-tetrazol-1-yl)acetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

    13. Cas-41136-22-5

    14. Ceftezole Sodium Salt

    15. Ncgc00182064-02

    16. Ncgc00183098-01

    17. Unii-3nhz4y117h

    18. Ceftezolesodium

    19. Falomesin (tn)

    20. Celoslin (tn)

    21. Schembl1649887

    22. Celoslin Sodium;falomesin Sodium

    23. Dtxsid1048594

    24. Chebi:31382

    25. Ceftezole Sodium [mart.]

    26. Ceftezole Sodium [who-dd]

    27. Ceftezole Sodium Salt [mi]

    28. Hy-n7096

    29. Tox21_112923

    30. Tox21_113140

    31. Ccg-269369

    32. As-83858

    33. Cs-0019767

    34. D01517

    35. D81767

    36. A899671

    37. Q27257756

    38. 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid, 8-oxo-7-((2-(1h-tetrazol-1-yl)acetyl)amino)-3-((1,3,4-thiadiazol-2-ylthio)methyl)-, Sodium Salt (1:1), (6r,7r)-

    39. 8-oxo-7-[(1h-tetrazol-1-ylacetyl)amino]-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid Monosodium Salt

    40. Sodium (6r,7r)-3-((1,3,4-thiadiazol-2-ylthio)methyl)-7-(2-(1h-tetrazol-1-yl)acetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

    41. Sodium (7r)-7-(2-(1h-tetrazol-1-yl)acetamido)-3-(1,3,4-thiadiazol-2-ylthiomethyl)-3-cephem-4-carboxylate

    42. Sodium,(6r,7r)-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

    43. Sodium;(6r,7r)-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

    2.4 Create Date
    2008-02-05
    3 Chemical and Physical Properties
    Molecular Weight 462.5 g/mol
    Molecular Formula C13H11N8NaO4S3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count7
    Exact Mass461.99630866 g/mol
    Monoisotopic Mass461.99630866 g/mol
    Topological Polar Surface Area238 Ų
    Heavy Atom Count29
    Formal Charge0
    Complexity716
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    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.)