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    Chemistry

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    Also known as: Meropenem & vaborbactam, Meropenem + vaborbactam, 2031124-72-6, Vabomere, Meropenem / vaborbactam, Meropenem and vaborbactam
    Molecular Formula
    C29H41BN4O10S2
    Molecular Weight
    680.6  g/mol
    InChI Key
    SDJYWZHQLNEXKV-SSHSFQATSA-N
    Meropenem And Vaborbactam
    1 2D Structure

    Meropenem And Vaborbactam

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;2-[(3R,6S)-2-hydroxy-3-[(2-thiophen-2-ylacetyl)amino]oxaborinan-6-yl]acetic acid
    2.1.2 InChI
    InChI=1S/C17H25N3O5S.C12H16BNO5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4;15-11(7-9-2-1-5-20-9)14-10-4-3-8(6-12(16)17)19-13(10)18/h7-12,18,21H,5-6H2,1-4H3,(H,24,25);1-2,5,8,10,18H,3-4,6-7H2,(H,14,15)(H,16,17)/t7-,8-,9+,10+,11-,12-;8-,10-/m10/s1
    2.1.3 InChI Key
    SDJYWZHQLNEXKV-SSHSFQATSA-N
    2.1.4 Canonical SMILES
    B1(C(CCC(O1)CC(=O)O)NC(=O)CC2=CC=CS2)O.CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C(=O)N(C)C)C(=O)O)C(C)O
    2.1.5 Isomeric SMILES
    B1([C@H](CC[C@H](O1)CC(=O)O)NC(=O)CC2=CC=CS2)O.C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)N(C)C)C(=O)O)[C@@H](C)O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Meropenem - Vaborbactam

    2. Meropenem And Vaborbactam

    3. Meropenem Vaborbactam Drug Combination

    4. Vabomere

    2.2.2 Depositor-Supplied Synonyms

    1. Meropenem & Vaborbactam

    2. Meropenem + Vaborbactam

    3. 2031124-72-6

    4. Vabomere

    5. Meropenem / Vaborbactam

    6. Meropenem And Vaborbactam

    7. Meropenem Mixture With Vaborbactam

    8. (4r,5s,6s)-3-[(3s,5s)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic Acid;2-[(3r,6s)-2-hydroxy-3-[(2-thiophen-2-ylacetyl)amino]oxaborinan-6-yl]acetic Acid

    2.3 Create Date
    2014-12-31
    3 Chemical and Physical Properties
    Molecular Weight 680.6 g/mol
    Molecular Formula C29H41BN4O10S2
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count13
    Rotatable Bond Count10
    Exact Mass680.2357160 g/mol
    Monoisotopic Mass680.2357160 g/mol
    Topological Polar Surface Area260 Ų
    Heavy Atom Count46
    Formal Charge0
    Complexity1050
    Isotope Atom Count0
    Defined Atom Stereocenter Count8
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Drug and Medication Information
    4.1 Drug Information
    1 of 1  
    Drug NameVABOMERE
    Active IngredientMEROPENEM; VABORBACTAM
    CompanyREMPEX PHARMS (Application Number: N209776. Patents: 8680136, 9694025)

    5 Pharmacology and Biochemistry
    5.1 ATC Code

    J - Antiinfectives for systemic use

    J01 - Antibacterials for systemic use

    J01D - Other beta-lactam antibacterials

    J01DH - Carbapenems

    J01DH52 - Meropenem and vaborbactam

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