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    Tebipenem Pivoxil Hydrobromide

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    $ API Ref.Price (USD/KG) : 6,032Xls

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    2D Structure
    Also known as: Tbpm-pi-hbr, Spr994, Nt65dx774j, Spr-994, Tebipenem pivoxil hydrobromide [usan], 1381788-20-0
    Molecular Formula
    C22H32BrN3O6S2
    Molecular Weight
    578.5  g/mol
    InChI Key
    MMWWBQNLJKFAIN-HXLQFWNVSA-N
    FDA UNII
    NT65DX774J
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,2-dimethylpropanoyloxymethyl (4R,5S,6S)-3-[1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;hydrobromide
    2.1.2 InChI
    InChI=1S/C22H31N3O6S2.BrH/c1-11-15-14(12(2)26)18(27)25(15)16(19(28)30-10-31-20(29)22(3,4)5)17(11)33-13-8-24(9-13)21-23-6-7-32-21;/h11-15,26H,6-10H2,1-5H3;1H/t11-,12-,14-,15-;/m1./s1
    2.1.3 InChI Key
    MMWWBQNLJKFAIN-HXLQFWNVSA-N
    2.1.4 Canonical SMILES
    CC1C2C(C(=O)N2C(=C1SC3CN(C3)C4=NCCS4)C(=O)OCOC(=O)C(C)(C)C)C(C)O.Br
    2.1.5 Isomeric SMILES
    C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC3CN(C3)C4=NCCS4)C(=O)OCOC(=O)C(C)(C)C)[C@@H](C)O.Br
    2.2 Other Identifiers
    2.2.1 UNII
    NT65DX774J
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Spr994

    2. Tebipenem

    2.3.2 Depositor-Supplied Synonyms

    1. Tbpm-pi-hbr

    2. Spr994

    3. Nt65dx774j

    4. Spr-994

    5. Tebipenem Pivoxil Hydrobromide [usan]

    6. 1381788-20-0

    7. Tebipenem Pivoxil Hydrobromide (usan)

    8. 1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic Acid, 3-((1-(4,5-dihydro-2-thiazolyl)-3-azetidinyl)thio)-6-((1r)-1-hydroxyethyl)-4-methyl-7-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl Ester, Hydrobromide (1:1), (4r,5s,6s)-

    9. Unii-nt65dx774j

    10. Chembl4297677

    11. D11421

    12. ((2,2-dimethylpropanoyl)oxy)methyl (4r,5s,6s)-3-((1-(4,5-dihydrothiazol-2-yl)azetidin-3-yl)sulfanyl)-6-((1r)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylate Monohydrobromide

    2.4 Create Date
    2018-11-11
    3 Chemical and Physical Properties
    Molecular Weight 578.5 g/mol
    Molecular Formula C22H32BrN3O6S2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count10
    Exact Mass577.09159 g/mol
    Monoisotopic Mass577.09159 g/mol
    Topological Polar Surface Area159 Ų
    Heavy Atom Count34
    Formal Charge0
    Complexity908
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2