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    Chemistry

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    Also known as: Unii-c5f376eks2, Vnrx-7145, C5f376eks2, Ledaborbactam etzadroxil [inn], Refchem:201453, 1842399-68-1
    Molecular Formula
    C19H26BNO7
    Molecular Weight
    391.2  g/mol
    InChI Key
    SDTLIXWDRBWASV-HNNXBMFYSA-N
    FDA UNII
    C5F376EKS2
    Ledaborbactam Etzadroxil
    LEDABORBACTAM ETZADROXIL is a small molecule drug with a maximum clinical trial phase of I and has 1 investigational indication.
    1 2D Structure

    Ledaborbactam Etzadroxil

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-ethylbutanoyloxymethyl (3R)-2-hydroxy-3-(propanoylamino)-3,4-dihydro-1,2-benzoxaborinine-8-carboxylate
    2.1.2 InChI
    InChI=1S/C19H26BNO7/c1-4-12(5-2)18(23)26-11-27-19(24)14-9-7-8-13-10-15(21-16(22)6-3)20(25)28-17(13)14/h7-9,12,15,25H,4-6,10-11H2,1-3H3,(H,21,22)/t15-/m0/s1
    2.1.3 InChI Key
    SDTLIXWDRBWASV-HNNXBMFYSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    C5F376EKS2
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Unii-c5f376eks2

    2. Vnrx-7145

    3. C5f376eks2

    4. Ledaborbactam Etzadroxil [inn]

    5. Refchem:201453

    6. 1842399-68-1

    7. 2-ethylbutanoyloxymethyl (3r)-2-hydroxy-3-(propanoylamino)-3,4-dihydro-1,2-benzoxaborinine-8-carboxylate

    8. 2h-1,2-benzoxaborin-8-carboxylic Acid, 3,4-dihydro-2-hydroxy-3-((1-oxopropyl)amino)-, (2-ethyl-1-oxobutoxy)methyl Ester, (3r)-

    9. 2h-1,2-benzoxaborin-8-carboxylic Acid, 3,4-dihydro-2-hydroxy-3-[(1-oxopropyl)amino]-, (2-ethyl-1-oxobutoxy)methyl Ester, (3r)-

    10. Vnrx-5236 Etzadroxil

    11. Orb1691428

    12. Chembl4594425

    13. Schembl17347712

    14. Schembl29510614

    15. Ex-a15151

    16. Ledaborbactam Etzadroxil (usan/inn)

    17. Akos040757091

    18. Ledaborbactam Etzadroxil [usan]

    19. [(2-ethylbutanoyl)oxy]methyl (3r)-2-hydroxy-3-(propanamido)-3,4-dihydro-2h-1,2-benzoxaborinine-8-carboxylate

    20. Da-54842

    21. Hy-132824

    22. Cs-0204101

    23. D12472

    2.4 Create Date
    2019-07-16
    3 Chemical and Physical Properties
    Molecular Weight 391.2 g/mol
    Molecular Formula C19H26BNO7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count10
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area111
    Heavy Atom Count28
    Formal Charge0
    Complexity554
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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