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    Zidebactam

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
    $ API Ref.Price (USD/KG) : 14,274Xls

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    2D Structure
    Also known as: 1436861-97-0, Wck-5107, Zidebactam, (-)-, Zidebactam [inn], Wck5107, Ypm97423db
    Molecular Formula
    C13H21N5O7S
    Molecular Weight
    391.40  g/mol
    InChI Key
    YCZPXRQPDCXTIO-BBBLOLIVSA-N
    FDA UNII
    YPM97423DB
    Zidebactam is under investigation in clinical trial NCT02674347 (MAD Study to Evaluate the Safety, Tolerability and Pharmacokinetics of Intravenous Zidebactam in Healthy Adults).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(2S,5R)-7-oxo-2-[[[(3R)-piperidine-3-carbonyl]amino]carbamoyl]-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
    2.1.2 InChI
    InChI=1S/C13H21N5O7S/c19-11(8-2-1-5-14-6-8)15-16-12(20)10-4-3-9-7-17(10)13(21)18(9)25-26(22,23)24/h8-10,14H,1-7H2,(H,15,19)(H,16,20)(H,22,23,24)/t8-,9-,10+/m1/s1
    2.1.3 InChI Key
    YCZPXRQPDCXTIO-BBBLOLIVSA-N
    2.1.4 Canonical SMILES
    C1CC(CNC1)C(=O)NNC(=O)C2CCC3CN2C(=O)N3OS(=O)(=O)O
    2.1.5 Isomeric SMILES
    C1C[C@H](CNC1)C(=O)NNC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(=O)(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    YPM97423DB
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1436861-97-0

    2. Wck-5107

    3. Zidebactam, (-)-

    4. Zidebactam [inn]

    5. Wck5107

    6. Ypm97423db

    7. 1,6-diazabicyclo(3.2.1)octane-2-carboxylic Acid, 7-oxo-6-(sulfooxy)-, 2-(2-((3r)-3-piperidinylcarbonyl)hydrazide), (1r,2s,5r)-

    8. (1r,2s,5r)-7-oxo-2-(2-((r)-piperidine-3-carbonyl)hydrazine-1-carbonyl)-1,6-diazabicyclo[3.2.1]octan-6-yl Hydrogen Sulfate

    9. [(2s,5r)-7-oxo-2-[[[(3r)-piperidine-3-carbonyl]amino]carbamoyl]-1,6-diazabicyclo[3.2.1]octan-6-yl] Hydrogen Sulfate

    10. Unii-ypm97423db

    11. Zidebactam [who-dd]

    12. Chembl4533605

    13. Schembl15886199

    14. Schembl16151824

    15. Gtpl10874

    16. Yczpxrqpdcxtio-bbblolivsa-n

    17. Amy30764

    18. Ex-a5156

    19. Wck 5107

    20. Akos030573727

    21. Db13090

    22. Ms-26524

    23. Hy-120859

    24. Cs-0079386

    25. Ns00073418

    26. G16716

    27. Q27294646

    28. (2s,5r)-6-sulfooxy-7-oxo-2-[((3r)-piperidine-3-carbonyl)-hydrazinocarbonyl]-1,6-diaza-bicyclo[3.2.1]octane

    2.4 Create Date
    2014-09-22
    3 Chemical and Physical Properties
    Molecular Weight 391.40 g/mol
    Molecular Formula C13H21N5O7S
    XLogP3-4.2
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count4
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area166
    Heavy Atom Count26
    Formal Charge0
    Complexity694
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1