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    With Fermion, start the journey of your innovative API.

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    Chemistry

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    Also known as: Ft-0659154
    Molecular Formula
    C54H56Cl2N8O10S2
    Molecular Weight
    1112.1  g/mol
    InChI Key
    COCFKSXGORCFOW-UHFFFAOYSA-N
    Cloxacillin Benzathine
    1 2D Structure

    Cloxacillin Benzathine

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;N,N'-dibenzylethane-1,2-diamine
    2.1.2 InChI
    InChI=1S/2C19H18ClN3O5S.C16H20N2/c2*1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2*4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27);1-10,17-18H,11-14H2
    2.1.3 InChI Key
    COCFKSXGORCFOW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O.CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Ft-0659154

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 1112.1 g/mol
    Molecular Formula C54H56Cl2N8O10S2
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count16
    Rotatable Bond Count15
    Exact Mass1110.2937877 g/mol
    Monoisotopic Mass1110.2937877 g/mol
    Topological Polar Surface Area300 Ų
    Heavy Atom Count76
    Formal Charge0
    Complexity893
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count6
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3

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    07-Jan-2021
    16-Jul-2024
    KGS
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    Average Price (USD/KGS)

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    (KGS)    		 Average Price
    (USD/KGS)    		 Number of Transactions

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