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    Propamidine Isetionate

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    PharmaCompass
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    2D Structure
    Also known as: Propamidine isetionate, Propamidine diisethionate, 140-63-6, M&b 782, M + b 782, 7t9ij84c42
    Molecular Formula
    C21H32N4O10S2
    Molecular Weight
    564.6  g/mol
    InChI Key
    WSOSYBUSMXEYDO-UHFFFAOYSA-N
    FDA UNII
    7T9IJ84C42
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[3-(4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide;2-hydroxyethanesulfonic acid
    2.1.2 InChI
    InChI=1S/C17H20N4O2.2C2H6O4S/c18-16(19)12-2-6-14(7-3-12)22-10-1-11-23-15-8-4-13(5-9-15)17(20)21;2*3-1-2-7(4,5)6/h2-9H,1,10-11H2,(H3,18,19)(H3,20,21);2*3H,1-2H2,(H,4,5,6)
    2.1.3 InChI Key
    WSOSYBUSMXEYDO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1C(=N)N)OCCCOC2=CC=C(C=C2)C(=N)N.C(CS(=O)(=O)O)O.C(CS(=O)(=O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    7T9IJ84C42
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Propamidine Diisethionate

    2.3.2 Depositor-Supplied Synonyms

    1. Propamidine Isetionate

    2. Propamidine Diisethionate

    3. 140-63-6

    4. M&b 782

    5. M + B 782

    6. 7t9ij84c42

    7. Ethanesulfonic Acid, 2-hydroxy-, Compd. With 4,4'-(trimethylenedioxy)dibenzamidine (2:1)

    8. Propamidine Isthionate

    9. 4-[3-(4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide;2-hydroxyethanesulfonic Acid

    10. Einecs 205-423-6

    11. Unii-7t9ij84c42

    12. Golden Eye Drops

    13. Brolene Drops

    14. Propamidine Diisetionate

    15. Golden Eye Drops (tn)

    16. Chebi:87175

    17. Dtxsid50161211

    18. Propamidine Isethionate [mi]

    19. Propamidine Isetionate [mart.]

    20. M&b-782

    21. Propamidine Isetionate [who-dd]

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

    23. D08436

    24. Q27159426

    25. 4,4'-(propane-1,3-diylbis(oxy))dibenzimidamide Bis(2-hydroxyethanesulfonate)

    26. Benzamidine, 4,4'-(trimethylenedioxy)di-, Bis(2-hydroxyethanesulfonate)

    27. [propane-1,3-diylbis(oxy-4,1-phenylene)]bis(iminomethanaminium) Bis(2-hydroxyethane-1-sulfonate)

    28. 2-hydroxyethane-1-sulfonic Acid--4,4'-[propane-1,3-diylbis(oxy)]di(benzene-1-carboximidamide) (2/1)

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 564.6 g/mol
    Molecular Formula C21H32N4O10S2
    Hydrogen Bond Donor Count8
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count12
    Exact Mass564.15598558 g/mol
    Monoisotopic Mass564.15598558 g/mol
    Topological Polar Surface Area284 Ų
    Heavy Atom Count37
    Formal Charge0
    Complexity467
    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

    Antiprotozoal Agents

    Substances that are destructive to protozoans. (See all compounds classified as Antiprotozoal Agents.)