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

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    Cefsulodin

    ACTIVE PHARMA INGREDIENTS

    PRICE INFORMATION

    MARKET PLACE

    PharmaCompass
    $ API Ref.Price (USD/KG) : 13,792Xls

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    2D Structure
    Also known as: Schembl193928
    Molecular Formula
    C22H20N4NaO8S2+
    Molecular Weight
    555.5  g/mol
    InChI Key
    REACMANCWHKJSM-WXNNVNCASA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;(6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[(2-phenyl-2-sulfoacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
    2.1.2 InChI
    InChI=1S/C22H20N4O8S2.Na/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12;/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34);/q;+1/t15-,17?,21-;/m1./s1
    2.1.3 InChI Key
    REACMANCWHKJSM-WXNNVNCASA-N
    2.1.4 Canonical SMILES
    C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)O)C(=O)[O-])C[N+]4=CC=C(C=C4)C(=O)N.[Na+]
    2.1.5 Isomeric SMILES
    C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)O)C(=O)[O-])C[N+]4=CC=C(C=C4)C(=O)N.[Na+]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Schembl193928

    2.3 Create Date
    2008-02-05
    3 Chemical and Physical Properties
    Molecular Weight 555.5 g/mol
    Molecular Formula C22H20N4NaO8S2+
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count8
    Exact Mass555.06202524 g/mol
    Monoisotopic Mass555.06202524 g/mol
    Topological Polar Surface Area225 Ų
    Heavy Atom Count37
    Formal Charge1
    Complexity1070
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2