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    Chemistry

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    Also known as: 1192491-61-4, Avibactam sodium salt, Nxl 104, Nxl-104, Avibactam (sodium), Ave-1330a
    Molecular Formula
    C7H10N3NaO6S
    Molecular Weight
    287.23  g/mol
    InChI Key
    RTCIKUMODPANKX-JBUOLDKXSA-M
    FDA UNII
    9V824P8TAI
    Avibactam Sodium
    1 2D Structure

    Avibactam Sodium

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;[(2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate
    2.1.2 InChI
    InChI=1S/C7H11N3O6S.Na/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15;/h4-5H,1-3H2,(H2,8,11)(H,13,14,15);/q;+1/p-1/t4-,5+;/m1./s1
    2.1.3 InChI Key
    RTCIKUMODPANKX-JBUOLDKXSA-M
    2.1.4 Canonical SMILES
    C1CC(N2CC1N(C2=O)OS(=O)(=O)[O-])C(=O)N.[Na+]
    2.1.5 Isomeric SMILES
    C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)[O-])C(=O)N.[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    9V824P8TAI
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Avibactam

    2. Nxl 104

    3. Nxl-104

    4. Nxl104

    2.3.2 Depositor-Supplied Synonyms

    1. 1192491-61-4

    2. Avibactam Sodium Salt

    3. Nxl 104

    4. Nxl-104

    5. Avibactam (sodium)

    6. Ave-1330a

    7. Avibactam Sodium [usan]

    8. Chebi:85982

    9. Ave-1330a Sodium

    10. C8sm6irw7g

    11. 9v824p8tai

    12. Sodium (1r,2s,5r)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl Sulfate

    13. Sodium (2s,5r)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl Sulfate

    14. 396731-20-7

    15. Sodium;[(2s,5r)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] Sulfate

    16. 1,6-diazabicyclo(3.2.1)octane-2-carboxamide, 7-oxo-6-(sulfooxy)-, Monosodium Salt, (1r,2s,5r)-rel-

    17. Sulfuric Acid Mono[(1r,2s,5r)-2-(aminocarbonyl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-6-yl] Ester Sodium Salt

    18. Sulfuric Acid, Mono((1r,2s,5r)-2-(aminocarbonyl)-7-oxo-1,6-diazabicyclo(3.2.1)oct-6-yl) Ester, Sodium Salt (1:1)

    19. Sulfuric Acid, Mono((1r,2s,5r)-2-(aminocarbonyl)-7-oxo-1,6-diazabicyclo(3.2.1)oct-6-yl) Ester, Sodium Salt (1:1), Rel-

    20. Avibactam Sodium [jan]

    21. Unii-9v824p8tai

    22. Unii-c8sm6irw7g

    23. Avibactam Sodium; Nxl-104

    24. Chembl2107817

    25. Schembl14247700

    26. Avibactam Sodium [who-dd]

    27. Bdbm159600

    28. Dtxsid701027694

    29. Avibactam Sodium Salt [mi]

    30. Ave-1330

    31. Ex-a2293

    32. Avibactam Sodium, (+/-)-

    33. Bdbm50512951

    34. Hy-14879a

    35. Mfcd28900719

    36. Akos030243377

    37. Avibactam Sodium [orange Book]

    38. Ccg-267346

    39. Avycaz Component Avibactam Sodium

    40. Ac-29295

    41. As-74970

    42. Avibactam Sodium Component Of Avycaz

    43. N-9895

    44. Nxl 104, Antibiotic For Culture Media Use Only

    45. Us9035062, 23

    46. A892614

    47. Q27158832

    48. Sodium(1r,2s,5r)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-ylsulfate

    49. (2s,5r)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide Monosodium Salt;avibactam Sodium

    50. 790235-32-4

    51. Sodium ({[(2s,5r)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl]oxy}sulfonyl)oxidanide

    2.4 Create Date
    2008-10-08
    3 Chemical and Physical Properties
    Molecular Weight 287.23 g/mol
    Molecular Formula C7H10N3NaO6S
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count3
    Exact Mass287.01880050 g/mol
    Monoisotopic Mass287.01880050 g/mol
    Topological Polar Surface Area141 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity462
    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

    beta-Lactamase Inhibitors

    Endogenous substances and drugs that inhibit or block the activity of BETA-LACTAMASES. (See all compounds classified as beta-Lactamase Inhibitors.)

    API Reference Price

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    04-Feb-2022
    25-Jun-2024
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