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    Technical details about BENZYLPENICILLOYL POLYLYSINE, learn more about the structure, uses, toxicity, action, side effects and more

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    BENZYLPENICILLOYL POLYLYSINE

    DOSSIERs // Finished Dosage Forms

    RELATED EXCIPIENT COMPANIES

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    PharmaCompass

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    2D Structure
    1. Also known as: 31855-75-1, (2s)-2,6-diaminohexanoic acid;(2s,5r,6r)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, Pre-pen (tn), Benzylpenicilloyl polylysine (usp), D03095
    Molecular Formula
    C22H32N4O6S
    Molecular Weight
    480.6  g/mol
    InChI Key
    BBCCQANBCHACAE-TUTYNZERSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-2,6-diaminohexanoic acid;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
    2.1.2 InChI
    InChI=1S/C16H18N2O4S.C6H14N2O2/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;7-4-2-1-3-5(8)6(9)10/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);5H,1-4,7-8H2,(H,9,10)/t11-,12+,14-;5-/m10/s1
    2.1.3 InChI Key
    BBCCQANBCHACAE-TUTYNZERSA-N
    2.1.4 Canonical SMILES
    CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.C(CCN)CC(C(=O)O)N
    2.1.5 Isomeric SMILES
    CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.C(CCN)C[C@@H](C(=O)O)N
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Benzylpenicilloyl G Polylysine

    2. Benzylpenicilloyl-g-polylysine

    2.2.2 Depositor-Supplied Synonyms

    1. 31855-75-1

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

    3. Pre-pen (tn)

    4. Benzylpenicilloyl Polylysine (usp)

    5. D03095

    2.3 Create Date
    2008-02-08
    3 Chemical and Physical Properties
    Molecular Weight 480.6 g/mol
    Molecular Formula C22H32N4O6S
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count9
    Exact Mass480.20425593 g/mol
    Monoisotopic Mass480.20425593 g/mol
    Topological Polar Surface Area201 Ų
    Heavy Atom Count33
    Formal Charge0
    Complexity636
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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