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    Picloxydine Dihydrochloride

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    PharmaCompass
    $ API Ref.Price (USD/KG) : 172,140Xls

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    2D Structure
    Also known as: Wzk4co345v, 19803-62-4, Vitabact, Picloxydine hcl, Unii-wzk4co345v, Einecs 243-328-1
    Molecular Formula
    C20H26Cl4N10
    Molecular Weight
    548.3  g/mol
    InChI Key
    VJVSCTKGPDDOBN-UHFFFAOYSA-N
    FDA UNII
    WZK4CO345V
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-N',4-N'-bis[N'-(4-chlorophenyl)carbamimidoyl]piperazine-1,4-dicarboximidamide;dihydrochloride
    2.1.2 InChI
    InChI=1S/C20H24Cl2N10.2ClH/c21-13-1-5-15(6-2-13)27-17(23)29-19(25)31-9-11-32(12-10-31)20(26)30-18(24)28-16-7-3-14(22)4-8-16;;/h1-8H,9-12H2,(H4,23,25,27,29)(H4,24,26,28,30);2*1H
    2.1.3 InChI Key
    VJVSCTKGPDDOBN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CN(CCN1C(=NC(=NC2=CC=C(C=C2)Cl)N)N)C(=NC(=NC3=CC=C(C=C3)Cl)N)N.Cl.Cl
    2.1.5 Isomeric SMILES
    C1N(CCN(C1)/C(=N/C(=NC2=CC=C(C=C2)Cl)N)/N)/C(=N/C(=NC3=CC=C(C=C3)Cl)N)/N.Cl.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    WZK4CO345V
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1,1-(p-chlorophenylguanidinoformimidonyl)bis Piperazine

    2. Picloxidine

    3. Picloxydine

    4. Vitabact

    2.3.2 Depositor-Supplied Synonyms

    1. Wzk4co345v

    2. 19803-62-4

    3. Vitabact

    4. Picloxydine Hcl

    5. Unii-wzk4co345v

    6. Einecs 243-328-1

    7. Nsc 148548

    8. Picloxydine Hydrochloride

    9. Nsc-148548

    10. N,n'-bis((p-chlorophenyl)amidino)-1,4-piperazinedicarboxamidine Dihydrochloride

    11. Picloxydine Dihydrochloride [mi]

    12. Picloxydine Dihydrochloride [who-dd]

    13. 1,4-piperazinedicarboxamidine, N,n''-bis((p-chlorophenyl)amidino)-, Dihydrochloride

    14. 1,1'-(1,4-piperazinediylbis(imidocarbonyl))bis(3-(p-chlorophenyl)guanidine) Dihydrochloride

    2.4 Create Date
    2013-04-19
    3 Chemical and Physical Properties
    Molecular Weight 548.3 g/mol
    Molecular Formula C20H26Cl4N10
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count6
    Exact Mass548.106652 g/mol
    Monoisotopic Mass546.109602 g/mol
    Topological Polar Surface Area160 Ų
    Heavy Atom Count34
    Formal Charge0
    Complexity667
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count2
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3