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    Sulacillin

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    FINISHED DOSAGE FORMULATIONS

    GLOBAL SALES INFORMATION

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    2D Structure
    Also known as: 94935-63-4, Ampicillin mixture with sulbactam, Sulacillin, Ampicillin-sulbactam, (2s,5r,6r)-6-[[(2r)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(1r,4s)-3,3-dimethyl-2,2,6-trioxo-2lambda6-thiabicyclo[3.2.0]heptane-4-carboxylic acid, Sulbactam-ampicillin mixt. (1:2)
    Molecular Formula
    C25H31N3O9S2
    Molecular Weight
    581.7  g/mol
    InChI Key
    KMEGBUCIGMEPME-LQYKFRDPSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(1R,4S)-3,3-dimethyl-2,2,6-trioxo-26-thiabicyclo[3.2.0]heptane-4-carboxylic acid
    2.1.2 InChI
    InChI=1S/C16H19N3O4S.C9H12O5S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8;1-9(2)7(8(11)12)6-4(10)3-5(6)15(9,13)14/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23);5-7H,3H2,1-2H3,(H,11,12)/t9-,10-,11+,14-;5-,6?,7+/m11/s1
    2.1.3 InChI Key
    KMEGBUCIGMEPME-LQYKFRDPSA-N
    2.1.4 Canonical SMILES
    CC1(C(C2C(S1(=O)=O)CC2=O)C(=O)O)C.CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C
    2.1.5 Isomeric SMILES
    CC1([C@@H](C2[C@H](S1(=O)=O)CC2=O)C(=O)O)C.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)C
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Sulacillin

    2.2.2 Depositor-Supplied Synonyms

    1. 94935-63-4

    2. Ampicillin Mixture With Sulbactam

    3. Sulacillin

    4. Ampicillin-sulbactam

    5. (2s,5r,6r)-6-[[(2r)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid;(1r,4s)-3,3-dimethyl-2,2,6-trioxo-2lambda6-thiabicyclo[3.2.0]heptane-4-carboxylic Acid

    6. Sulbactam-ampicillin Mixt. (1:2)

    7. Ampicillin-sulbactam Mixt.

    8. Ampicillin And Sulbactam

    9. Dtxsid60241694

    10. 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic Acid, 6-(((2r)-aminophenylacetyl)amino)-3,3-dimethyl-7-oxo-, (2s,5r,6r)-, Mixt. With (2s,5r)-3,3-dimethyl-7-oxo-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic Acid 4,4-dioxide

    11. 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic Acid, 6-((aminophenylacetyl)amino)-3,3-dimethyl-7-oxo-, (2s-(2-alpha,5-alpha,6-beta(s*)))-, Mixt. With (2s-cis)-3,3-dimethyl-7-oxo-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic Acid 4,4-dioxide

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 581.7 g/mol
    Molecular Formula C25H31N3O9S2
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count5
    Exact Mass581.15017192 g/mol
    Monoisotopic Mass581.15017192 g/mol
    Topological Polar Surface Area235 Ų
    Heavy Atom Count39
    Formal Charge0
    Complexity1000
    Isotope Atom Count0
    Defined Atom Stereocenter Count6
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 FDA Pharmacological Classification
    4.1.1 Pharmacological Classes
    Penicillins [CS]; beta Lactamase Inhibitor [EPC]; beta Lactamase Inhibitors [MoA]; Penicillin-class Antibacterial [EPC]