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    Mezlocillin Sodium Monohydrate

    FINISHED DOSAGE FORMULATIONS

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    2D Structure
    Also known as: 80495-46-1, Mezlocillin sodium monohydrate [orange book], 3cww8b5904, Baycipen, Baypen, Mezlocillin sodium (jan)
    Molecular Formula
    C21H26N5NaO9S2
    Molecular Weight
    579.6  g/mol
    InChI Key
    CZXDIDROKIDGNE-SYNJJEHYSA-M
    FDA UNII
    3CWW8B5904
    Semisynthetic ampicillin-derived acylureido penicillin. It has been proposed for infections with certain anaerobes and may be useful in inner ear, bile, and CNS infections.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;(2S,5R,6R)-3,3-dimethyl-6-[[(2R)-2-[(3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydrate
    2.1.2 InChI
    InChI=1S/C21H25N5O8S2.Na.H2O/c1-21(2)14(18(29)30)26-16(28)13(17(26)35-21)22-15(27)12(11-7-5-4-6-8-11)23-19(31)24-9-10-25(20(24)32)36(3,33)34;;/h4-8,12-14,17H,9-10H2,1-3H3,(H,22,27)(H,23,31)(H,29,30);;1H2/q;+1;/p-1/t12-,13-,14+,17-;;/m1../s1
    2.1.3 InChI Key
    CZXDIDROKIDGNE-SYNJJEHYSA-M
    2.1.4 Canonical SMILES
    CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)N4CCN(C4=O)S(=O)(=O)C)C(=O)[O-])C.O.[Na+]
    2.1.5 Isomeric SMILES
    CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)NC(=O)N4CCN(C4=O)S(=O)(=O)C)C(=O)[O-])C.O.[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    3CWW8B5904
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Bay F 1353

    2. Bay-f 1353

    3. Bayf 1353

    4. Baypen

    5. Melocin

    6. Meslocillin

    7. Mezlin

    8. Mezlocillin

    9. Mezlocillin Sodium

    10. Mezlocilline

    11. Sodium, Mezlocillin

    2.3.2 Depositor-Supplied Synonyms

    1. 80495-46-1

    2. Mezlocillin Sodium Monohydrate [orange Book]

    3. 3cww8b5904

    4. Baycipen

    5. Baypen

    6. Mezlocillin Sodium (jan)

    7. 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic Acid, 3,3-dimethyl-6-(((2r)-(((3-(methylsulfonyl)-2-oxo-1-imidazolidinyl)carbonyl)amino)phenylacetyl)amino)-7-oxo-, Monosodium Salt, Monohydrate, (2s,5r,6r)-

    8. Sodium (2s,5r,6r)-3,3-dimethyl-6-((r)-2-(3-(methylsulfonyl)-2-oxo-1-imidazolidinecarboxamido)-2-phenylacetamido)-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate, Monohydrate

    9. Mezlocillin Sodium [jan]

    10. Unii-3cww8b5904

    11. Mezlin (tn)

    12. Schembl1237585

    13. Chebi:52068

    14. 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic Acid, 3,3-dimethyl-6-(((((3-(methylsulfonyl)-2-oxo-1-imidazolidinyl)carbonyl)amino)phenylacetyl)amino)-7-oxo-, Monosodium Salt, Monohydrate (2s-(2alpha,5alpha,6beta(s*)))-

    15. Mezlocillin Sodium Salt Monohydrate

    16. D02221

    17. Mezlocillin Sodium Monohydrate [who-dd]

    18. Mezlocillin Sodium Salt Monohydrate [mi]

    19. Q27123146

    20. 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic Acid, 3,3-dimethyl-6-(((((3-(methylsulfonyl)-2-oxo-1-imidazolidinyl)carbonyl)amino)phenylacetyl)amino)-7-oxo-, Monosodium Salt, Monohydrate (2s-(2.alpha.,5.alpha.,6.beta.(s*)))-

    21. Sodium (2s,5r,6r)-3,3-dimethyl-6-{[(2r)-2-({[3-(methylsulfonyl)-2-oxoimidazolidin-1-yl]carbonyl}amino)-2-phenylacetyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Hydrate

    22. Sodium 6beta-{(2r)-2-[3-(methanesulfonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}-2,2-dimethylpenam-3alpha-carboxylate--water (1/1)

    23. Sodium 6beta-{(2r)-2-[3-(methanesulfonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}penicillanate Hydrate

    2.4 Create Date
    2008-02-05
    3 Chemical and Physical Properties
    Molecular Weight 579.6 g/mol
    Molecular Formula C21H26N5NaO9S2
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count6
    Exact Mass579.10696405 g/mol
    Monoisotopic Mass579.10696405 g/mol
    Topological Polar Surface Area211 Ų
    Heavy Atom Count38
    Formal Charge0
    Complexity1090
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    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.)