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    Dibrompropamidine Isetionate

    ACTIVE PHARMA INGREDIENTS

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    2D Structure
    Also known as: 614-87-9, Dibrompropamidine diisetionate, 4,4'-(propane-1,3-diylbis(oxy))bis(3-bromobenzimidamide) bis(2-hydroxyethanesulfonate), Dibromopropamidine diisethionate, Dibromopropamidine isethionate, Dibrompropamidine isethionate
    Molecular Formula
    C21H30Br2N4O10S2
    Molecular Weight
    722.4  g/mol
    InChI Key
    VFDASNWZZRLEAU-UHFFFAOYSA-N
    FDA UNII
    12Y597MO62
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-bromo-4-[3-(2-bromo-4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide;2-hydroxyethanesulfonic acid
    2.1.2 InChI
    InChI=1S/C17H18Br2N4O2.2C2H6O4S/c18-12-8-10(16(20)21)2-4-14(12)24-6-1-7-25-15-5-3-11(17(22)23)9-13(15)19;2*3-1-2-7(4,5)6/h2-5,8-9H,1,6-7H2,(H3,20,21)(H3,22,23);2*3H,1-2H2,(H,4,5,6)
    2.1.3 InChI Key
    VFDASNWZZRLEAU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C=C1C(=N)N)Br)OCCCOC2=C(C=C(C=C2)C(=N)N)Br.C(CS(=O)(=O)O)O.C(CS(=O)(=O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    12Y597MO62
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1,3-di(4-amidino-2-bromophenoxy)propane Di-2-hydroxyethanesulfonate

    2. Brolene

    3. Brulidine

    4. Dibromopropamidine

    5. Dibromopropamidine Isethionate

    6. Dibrompropamidine

    7. Dibrompropamidine Hydrochloride

    8. Dibrompropamidine Isethionate

    9. Dibropropamidine Isethionate

    2.3.2 Depositor-Supplied Synonyms

    1. 614-87-9

    2. Dibrompropamidine Diisetionate

    3. 4,4'-(propane-1,3-diylbis(oxy))bis(3-bromobenzimidamide) Bis(2-hydroxyethanesulfonate)

    4. Dibromopropamidine Diisethionate

    5. Dibromopropamidine Isethionate

    6. Dibrompropamidine Isethionate

    7. 12y597mo62

    8. 3-bromo-4-[3-(2-bromo-4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide;2-hydroxyethanesulfonic Acid

    9. Nsc-33424

    10. Nsc-528031

    11. Unii-12y597mo62

    12. Brolene (tn)

    13. Einecs 210-399-5

    14. Nsc 33424

    15. Nsc 528031

    16. Schembl2471251

    17. Ex-a4352

    18. Mfcd04112915

    19. Akos024464485

    20. Dibrompropamidine Di-isethionate

    21. Dibrompropamidine For System Suitability

    22. Dibromopropamidine Isethionate [mi]

    23. Dibrompropamidine Isetionate [mart.]

    24. Dibrompropamidine Isetionate [who-dd]

    25. Dibromopropamidine Diisethionate [inci]

    26. D07813

    27. Dibrompropamidine Diisetionate [ep Monograph]

    28. Q27251446

    29. 4,4'-(propane-1,3-diylbis(oxy))bis(3-bromobenzimidamide) Bis(2-hydroxyethane-1-sulfonate)

    30. 4,4'-(propane-1,3-diylbis(oxy))bis(3-bromobenzimidamide)bis(2-hydroxyethanesulfonate)

    31. 4,4-(propane-1,3-diylbis(oxy))bis(3-bromobenzimidamide) Bis(2-hydroxyethanesulfonate)

    32. 4,4'-(1,3-propanediylbis(oxy))bis(3-bromo-benzenecarboximidamide, Bis(2-hydroxyethanesulfonate)

    33. 4,4'-(1,3-propanediylbis(oxy))bis(3-bromo-benzenecarboximidamide, Bis(2-hydroxyethanesulphonate)

    34. Ethanesulfonic Acid, 2-hydroxy-, Compd. With 4,4'-(1,3-propanediylbis(oxy))bis(3-bromobenzenecarboximidamide) (2:1)

    35. Ethanesulfonic Acid, 2-hydroxy-, Compd. With 4,4'-(trimethylenedioxy)bis(3-bromobenzamidine) (2:1)

    2.4 Create Date
    2007-09-27
    3 Chemical and Physical Properties
    Molecular Weight 722.4 g/mol
    Molecular Formula C21H30Br2N4O10S2
    Hydrogen Bond Donor Count8
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count12
    Exact Mass721.97496 g/mol
    Monoisotopic Mass719.97701 g/mol
    Topological Polar Surface Area284 Ų
    Heavy Atom Count39
    Formal Charge0
    Complexity543
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anti-Infective Agents, Local

    Substances used on humans and other animals that destroy harmful microorganisms or inhibit their activity. They are distinguished from DISINFECTANTS, which are used on inanimate objects. (See all compounds classified as Anti-Infective Agents, Local.)