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    Chemistry

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    Also known as: 125110-14-7, Cefixime hydrate, Cefixime [usan], Cefixime (trihydrate), Ytterbium(iii) ionophore i, Citropen
    Molecular Formula
    C16H21N5O10S2
    Molecular Weight
    507.5  g/mol
    InChI Key
    IPYWNMVPZOAFOQ-NABDTECSSA-N
    FDA UNII
    97I1C92E55
    KS-1200
    A third-generation cephalosporin antibiotic that is stable to hydrolysis by beta-lactamases.
    1 2D Structure

    KS-1200

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;trihydrate
    2.1.2 InChI
    InChI=1S/C16H15N5O7S2.3H2O/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7;;;/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27);3*1H2/b20-9-;;;/t10-,14-;;;/m1.../s1
    2.1.3 InChI Key
    IPYWNMVPZOAFOQ-NABDTECSSA-N
    2.1.4 Canonical SMILES
    C=CC1=C(N2C(C(C2=O)NC(=O)C(=NOCC(=O)O)C3=CSC(=N3)N)SC1)C(=O)O.O.O.O
    2.1.5 Isomeric SMILES
    C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OCC(=O)O)/C3=CSC(=N3)N)SC1)C(=O)O.O.O.O
    2.2 Other Identifiers
    2.2.1 UNII
    97I1C92E55
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Cefixime

    2. Cefixime Anhydrous

    3. Fk 027

    4. Fk-027

    5. Fk027

    6. Fr 17027

    7. Fr-17027

    8. Fr17027

    9. Suprax

    2.3.2 Depositor-Supplied Synonyms

    1. 125110-14-7

    2. Cefixime Hydrate

    3. Cefixime [usan]

    4. Cefixime (trihydrate)

    5. Ytterbium(iii) Ionophore I

    6. Citropen

    7. 97i1c92e55

    8. (6r,7r)-7-[[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid;trihydrate

    9. Oraken

    10. Fk-027

    11. Fr-17027

    12. Unii-97i1c92e55

    13. Cefixime (usp)

    14. Mfcd03788802

    15. Oroken (tn)

    16. Suprax (tn)

    17. (e)-cefixime Trihydrate

    18. Cefixime [vandf]

    19. (6r,7r)-7-(2-(2-amino-4-thiazolyl)glyoxylamido)-8-oxo-3-vinyl-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid, 7(sup 2)-(z)-(o-(carboxymethyl)oxime)trihydrate

    20. Ytterbium(iii)ionophore I

    21. Cefixime [mart.]

    22. Cefixime Hydrate (jp17)

    23. Cefixime [usp-rs]

    24. Cefixime [orange Book]

    25. Cefixime Hydrate [jan]

    26. Cefixime [ep Monograph]

    27. Cefixime [usp Monograph]

    28. Cefixime Trihydrate [mi]

    29. Hy-b1381a

    30. Cefixime Trihydrate [who-dd]

    31. Akos015994710

    32. Ccg-208807

    33. Ks-1200

    34. (6r,7r)-7-(((2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethyloxyimino)acetyl)amino)-3-ethenyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid Trihydrate

    35. Cs-0129491

    36. D07640

    37. 350c371

    38. Q27259597

    39. Cefixime Trihydrate, For Microbiology, >=98.0% (hplc)

    40. Cefixime, United States Pharmacopeia (usp) Reference Standard

    41. 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid, 7-(((2-amino-4-thiazolyl)((carboxymethoxy)imino)acetyl)amino)-3-ethenyl-8-oxo-, Trihydrate, (6r-(6.alpha.,7.beta.(z)))-

    2.4 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 507.5 g/mol
    Molecular Formula C16H21N5O10S2
    Hydrogen Bond Donor Count7
    Hydrogen Bond Acceptor Count15
    Rotatable Bond Count8
    Exact Mass507.07298423 g/mol
    Monoisotopic Mass507.07298423 g/mol
    Topological Polar Surface Area241 Ų
    Heavy Atom Count33
    Formal Charge0
    Complexity861
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count4
    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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