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    Technical details about Penicillin G Sulfoxide, learn more about the structure, uses, toxicity, action, side effects and more

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    Penicillin G Sulfoxide

    APIs // Active Pharmaceutical Ingredients

    PharmaCompass

    Symbiotec: Global API manufacturer, specializing in Cortico-Steroids & Steroid-Hormone APIs.

    Metrochem has been delivering customized volume & quality products to customers across the world, taking utmost care of their needs.

    2D Structure
    1. Also known as: 4052-54-4, Benzylpenicillin r-sulfoxide, Penicillin sulfoxide, 52248-38-1, [2s-(2alpha,5alpha,6beta)]-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4-oxide, (2s,5r,6r)-3,3-dimethyl-4,7-dioxo-6-[(2-phenylacetyl)amino]-4lambda4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
    Molecular Formula
    C16H18N2O5S
    Molecular Weight
    350.4  g/mol
    InChI Key
    FCZNNHHXCFARDY-WQRUCBPWSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S,5R,6R)-3,3-dimethyl-4,7-dioxo-6-[(2-phenylacetyl)amino]-44-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
    2.1.2 InChI
    InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24(16)23)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-,24?/m1/s1
    2.1.3 InChI Key
    FCZNNHHXCFARDY-WQRUCBPWSA-N
    2.1.4 Canonical SMILES
    CC1(C(N2C(S1=O)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C
    2.1.5 Isomeric SMILES
    CC1([C@@H](N2[C@H](S1=O)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Penicillin G Sulfoxide, (4beta)-isomer

    2. Penicillin G Sulfoxide, Monosodium Salt

    3. Penicillin G-sulfoxide

    2.2.2 Depositor-Supplied Synonyms

    1. 4052-54-4

    2. Benzylpenicillin R-sulfoxide

    3. Penicillin Sulfoxide

    4. 52248-38-1

    5. [2s-(2alpha,5alpha,6beta)]-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid 4-oxide

    6. (2s,5r,6r)-3,3-dimethyl-4,7-dioxo-6-[(2-phenylacetyl)amino]-4lambda4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid

    7. Benzylpenicillin S-sulfoxide

    8. (2s-(2alpha,5alpha,6beta))-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic Acid 4-oxide

    9. Einecs 223-757-0

    10. Einecs 251-828-6

    11. Einecs 257-786-5

    12. 6beta-phenylacetamidopenicillanic Acid 1beta-oxide

    13. Chembl323646

    14. Schembl9280462

    15. Dtxsid801105936

    16. (2s-(2alpha,4alpha,5alpha,6beta))-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic Acid 4-oxide

    17. (2s-(2alpha,4beta,5alpha,6beta))-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic Acid 4-oxide

    18. W-109214

    19. W-109940

    20. [2s-(2,4,5,6)]-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid 4-oxide

    21. [2s-(2,5,6)]-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid 4-oxide

    22. 4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- (2s,5r,6r)-, 4-oxide

    2.3 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 350.4 g/mol
    Molecular Formula C16H18N2O5S
    XLogP30.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count4
    Exact Mass350.09364285 g/mol
    Monoisotopic Mass350.09364285 g/mol
    Topological Polar Surface Area123 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity599
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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