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    Cefozopran

    ACTIVE PHARMA INGREDIENTS

    INTERMEDIATES

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Cefozopran, Cefozopran [inn], 113359-04-9, Czop, Sce 2787, Cefozopranum
    Molecular Formula
    C19H17N9O5S2
    Molecular Weight
    515.5  g/mol
    InChI Key
    QDUIJCOKQCCXQY-WHJQOFBOSA-N
    FDA UNII
    1LG87K28LW
    Cefozopran is a semisynthetic, broad-spectrum, fourth-generation cephalosporin with antibacterial activity. Cefozopran binds to and inactivates penicillin-binding proteins (PBPs) located on the inner membrane of the bacterial cell wall. PBPs are enzymes involved in the terminal stages of assembling the bacterial cell wall and in reshaping the cell wall during growth and division. 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
    (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-(imidazo[1,2-b]pyridazin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
    2.1.2 InChI
    InChI=1S/C19H17N9O5S2/c1-33-24-11(14-23-19(20)35-25-14)15(29)22-12-16(30)28-13(18(31)32)9(8-34-17(12)28)7-26-5-6-27-10(26)3-2-4-21-27/h2-6,12,17H,7-8H2,1H3,(H3-,20,22,23,25,29,31,32)/b24-11-/t12-,17-/m1/s1
    2.1.3 InChI Key
    QDUIJCOKQCCXQY-WHJQOFBOSA-N
    2.1.4 Canonical SMILES
    CON=C(C1=NSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=C5C=CC=NN5C=C4)C(=O)[O-]
    2.1.5 Isomeric SMILES
    CO/N=C(/C1=NSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=C5C=CC=NN5C=C4)C(=O)[O-]
    2.2 Other Identifiers
    2.2.1 UNII
    1LG87K28LW
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Cefozopran

    2. Czop

    3. Sce 2787

    4. Sce-2787

    2.3.2 Depositor-Supplied Synonyms

    1. Cefozopran

    2. Cefozopran [inn]

    3. 113359-04-9

    4. Czop

    5. Sce 2787

    6. Cefozopranum

    7. Cefozopran (inn)

    8. 1lg87k28lw

    9. Chebi:3502

    10. Imidazo[1,2-b]pyridazinium,1-[[(6r,7r)-7-[[(2z)-(5-amino-1,2,4-thiadiazol-3-yl)(methoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-, Inner Salt

    11. Ccris 6737

    12. Unii-1lg87k28lw

    13. Cefozopran [mi]

    14. Cefozopran [who-dd]

    15. Schembl49106

    16. (-)-1-(((6r,7r)-7-(2-(5-amino-1,2,4-thiadiazol-3-yl)glyoxylamido)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-1h-imidazo(1,2-b)pyridazin-4-ium Hydroxide Inner Salt, 7(sup 2)-(z)-(o-methyloxime)

    17. Imidazo(1,2-b)pyridazinium, 1-((6r,7r)-7-(((2z)-(5-amino-1,2,4-thiadiazol-3-yl)(methoxyimino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-, Inner Salt

    18. Chembl1276663

    19. Dtxsid701025943

    20. (6r,7r)-7-[[(2z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-(imidazo[1,2-b]pyridazin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

    21. Hy-b0771

    22. Cefozopran Hydrochloride [jan]

    23. Akos015896118

    24. Db13667

    25. Imidazo(1,2-b)pyridazinium, 1-((7-(((5-amino-1,2,4-thiadiazol-3-yl)(methoxyimino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-, Inner Salt, (6r-(6alpha,7beta(z)))-

    26. D01052

    27. J-504081

    28. (-)-1-(((6r,7r)-7-(2-(5-amino-1,2,4-thiadiazol-3-yl)glyoxylamido)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-1h-imidazo(1,2-b)pyridazin-4-ium Hydroxide Inner Salt, 7^2-(z)-(o-methyloxime)

    29. (6r,7r)-7-{[(2z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(methoxyimino)acetyl]amino}-3-(imidazo[1,2-b]pyridazin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

    30. 1-[[(6r,7r)-7-[[(2z)-(5-amino-1,2,4-thiadiazol-3-yl)(methoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3 -yl]methyl]-imidazo[1,2-b]pyridazinium Hydroxide Inner Salt

    31. 7-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-(imidazo[1,2-b]pyridazin-1-ium-1-ylmethyl)-3,4-didehydrocepham-4-carboxylate

    2.4 Create Date
    2006-10-24
    3 Chemical and Physical Properties
    Molecular Weight 515.5 g/mol
    Molecular Formula C19H17N9O5S2
    XLogP30.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count6
    Exact Mass515.07940702 g/mol
    Monoisotopic Mass515.07940702 g/mol
    Topological Polar Surface Area238 Ų
    Heavy Atom Count35
    Formal Charge0
    Complexity960
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 ATC Code

    J - Antiinfectives for systemic use

    J01 - Antibacterials for systemic use

    J01D - Other beta-lactam antibacterials

    J01DE - Fourth-generation cephalosporins

    J01DE03 - Cefozopran