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    Chemistry

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    Also known as: 659-40-5, Desomedine, Hexamidine isethionate, Hexomedine, Ophtamedine, Esomedina
    Molecular Formula
    C24H38N4O10S2
    Molecular Weight
    606.7  g/mol
    InChI Key
    NBVZMBLJRHUOJR-UHFFFAOYSA-N
    FDA UNII
    023XA5Z50L
    Hexamidine
    1 2D Structure

    Hexamidine

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[6-(4-carbamimidoylphenoxy)hexoxy]benzenecarboximidamide;2-hydroxyethanesulfonic acid
    2.1.2 InChI
    InChI=1S/C20H26N4O2.2C2H6O4S/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24;2*3-1-2-7(4,5)6/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24);2*3H,1-2H2,(H,4,5,6)
    2.1.3 InChI Key
    NBVZMBLJRHUOJR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1C(=N)N)OCCCCCCOC2=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
    023XA5Z50L
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1,6-di(para-amidinophenoxy)hexane

    2. 1,6-di-(4-amidinophenoxy)hexane

    3. Dsomdine

    4. Hexamidine

    5. Hexamidine Dihydrochloride

    6. Hexamidine Isethionate

    7. Hexaseptine

    8. Hexomdine

    9. Hexomedin

    10. Hexomedin N

    11. Hexomedine

    12. Laryngomedin N

    13. Ophtamedine

    2.3.2 Depositor-Supplied Synonyms

    1. 659-40-5

    2. Desomedine

    3. Hexamidine Isethionate

    4. Hexomedine

    5. Ophtamedine

    6. Esomedina

    7. Hexamidine Diisetionate

    8. 023xa5z50l

    9. 4-[6-(4-carbamimidoylphenoxy)hexoxy]benzenecarboximidamide;2-hydroxyethanesulfonic Acid

    10. 2-hydroxyethanesulphonic Acid, Compound With 4,4'-[hexane-1,6-diylbis(oxy)]bis[benzenecarboxamidine] (2:1)

    11. 2535 Rp

    12. Rp 2535

    13. 2535 R. P.

    14. Desmedine

    15. 4,4'-(hexane-1,6-diylbis(oxy))dibenzimidamide Bis(2-hydroxyethanesulfonate)

    16. Nsc-115848

    17. Hexomedin

    18. Unii-023xa5z50l

    19. Hexamidin 2-hydroxyethansulfonat

    20. 2-hydroxyethanesulphonic Acid, Compound With 4,4'-(hexane-1,6-diylbis(oxy))bis(benzenecarboxamidine) (2:1)

    21. Einecs 211-533-5

    22. Hexamidine Isetionate

    23. Nsc 115848

    24. 2-hydroxyethanesulphonic Acid, Compound With 4,4'-[hexane-1,6-diylbis(oxy)]bis[benzenecarboxamidine] (2

    25. Schembl15940090

    26. Amy7835

    27. Hexamidine Isethionate [mi]

    28. Hexamidine Isetionate [mart.]

    29. 4-[6-(4-carbamimidoylphenoxy)hexoxy]benzamidine; 2-hydroxyethanesulfonic Acid

    30. Akos015896206

    31. Hexamidine Isetionate [who-dd]

    32. Hexamidine Diisethionate [inci]

    33. Rf-2535

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

    35. As-83166

    36. Ft-0627027

    37. Hexamidine Diisetionate [ep Impurity]

    38. Hexamidine Diisetionate [ep Monograph]

    39. 659h405

    40. A835285

    41. Q27231489

    42. 4,4'-(hexamethylenedioxy)dibenzamidine Isethionate

    43. 4,4'-(hexane-1,6-diylbis(oxy))dibenzimidamidebis(2-hydroxyethanesulfonate)

    44. 4,4'-(hexamethylenedioxy)dibenzamidine Bis(2-hydroxyethanesulphonate)

    45. Ethanesulfonic Acid, 2-hydroxy-, Compd. With 4,4'-(1,6-hexanediylbis(oxy))bis(benzenecarboximidamide) (2:1)

    2.4 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 606.7 g/mol
    Molecular Formula C24H38N4O10S2
    Hydrogen Bond Donor Count8
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count15
    Exact Mass606.20293577 g/mol
    Monoisotopic Mass606.20293577 g/mol
    Topological Polar Surface Area284 Ų
    Heavy Atom Count40
    Formal Charge0
    Complexity505
    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

    Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection. (See all compounds classified as Anti-Infective Agents.)

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    [{"dataSource":"API Import","activeIngredients":"HEXAMIDINE","year":"2021","qtr":"Q1","strtotime":1612117800,"product":"HEXAMIDINE DI ISETHIONATE (FOR R&D PURPOSE, NOT FOR SALE)","address":"21\/4, BHAGAT SINGH MARG","city":"NEW DELHI","supplier":"YRIEL SARL","supplierCountry":"FRANCE","foreign_port":"MARSEILLE","customer":"KUSUM HEALTHCARE PVT LTD","customerCountry":"INDIA","quantity":"5.00","actualQuantity":"5","unit":"KGS","unitRateFc":"900","totalValueFC":"6449.5","currency":"EUR","unitRateINR":"93913.2","date":"01-Feb-2021","totalValueINR":"469566.22","totalValueInUsd":"6449.5","indian_port":"DELHI AIR","hs_no":"29349990","bill_no":"2588488","productDescription":"API","marketType":"REGULATED MARKET","country":"FRANCE","selfForZScoreResived":"Pharma Grade","supplierPort":"MARSEILLE","supplierAddress":"","customerAddress":"21\/4, BHAGAT SINGH MARG"},{"dataSource":"API Import","activeIngredients":"","year":"2021","qtr":"Q3","strtotime":1625855400,"product":"HEXAMIDINE DIISETHIONATE\/PO:4965721562\/00010CARBOXYIMIDE FUNCTION COMPOUNDS-IMINES AND THEIR DERIVATIVES","address":"RBC, MAHINDRA TOWERS, 1ST FLOOR,`A` WING, DR. 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    01-Feb-2021
    04-Jun-2024
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