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    Alexidine Dihydrochloride

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    PharmaCompass
    $ API Ref.Price (USD/KG) : 74,287Xls

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    2D Structure
    Also known as: 1715-30-6, Alexidine hydrochloride, Alexidine hcl, Alexidine (dihydrochloride), Alexidine.dihydrochloride, I2a7616py1
    Molecular Formula
    C26H58Cl2N10
    Molecular Weight
    581.7  g/mol
    InChI Key
    BRJJFBHTDVWTCJ-UHFFFAOYSA-N
    FDA UNII
    I2A7616PY1
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[N'-[6-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(2-ethylhexyl)guanidine;dihydrochloride
    2.1.2 InChI
    InChI=1S/C26H56N10.2ClH/c1-5-9-15-21(7-3)19-33-25(29)35-23(27)31-17-13-11-12-14-18-32-24(28)36-26(30)34-20-22(8-4)16-10-6-2;;/h21-22H,5-20H2,1-4H3,(H5,27,29,31,33,35)(H5,28,30,32,34,36);2*1H
    2.1.3 InChI Key
    BRJJFBHTDVWTCJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCC(CC)CN=C(N)NC(=NCCCCCCN=C(N)NC(=NCC(CC)CCCC)N)N.Cl.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    I2A7616PY1
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1715-30-6

    2. Alexidine Hydrochloride

    3. Alexidine Hcl

    4. Alexidine (dihydrochloride)

    5. Alexidine.dihydrochloride

    6. I2a7616py1

    7. Ncgc00094996-01

    8. 1,1'-hexamethylenebis(5-(2-ethylhex-1-yl))biguanide Dihydrochloride

    9. 1,1'-hexamethylenebis[5-(2-ethylhex-1-yl)]biguanide Dihydrochloride

    10. Dsstox_cid_25881

    11. Dsstox_rid_81197

    12. Dsstox_gsid_45881

    13. 2,4,11,13-tetraazatetradecanediimidamide, N,n''-bis(2-ethylhexyl)-3,12-diimino-, Dihydrochloride

    14. 2,4,11,13-tetraazatetradecanediimidamide, N1,n14-bis(2-ethylhexyl)-3,12-diimino-, Hydrochloride (1:2)

    15. 1,1-hexamethylene-bis(5-[2-ethylhexyl]biguanide)"

    16. 1,1'-hexamethylenebis[5-(2-ethylhexyl)]biguanide Dihydrochloride

    17. N,n''-bis(2-ethylhexyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediamidine Dihydrochloride

    18. Prestwick_42

    19. Cas-1715-30-6

    20. Sr-01000838863

    21. Unii-i2a7616py1

    22. Alexidine 2hcl

    23. Einecs 216-994-6

    24. Mfcd00082369

    25. Schembl292713

    26. Spectrum1503074

    27. Chembl554041

    28. Dtxsid5045881

    29. Hms1570k16

    30. Hms1922c13

    31. Baa71530

    32. Bcp30227

    33. Tox21_111380

    34. Bdbm50495214

    35. Ccg-39767

    36. Akos024258863

    37. Tox21_111380_1

    38. Ncgc00094996-02

    39. Ncgc00178352-06

    40. Bs-50064

    41. N,n''-bis(2-ethylhexyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide Dihydrochloride

    42. Alexidine Dihydrochloride, >=95% (hplc)

    43. Hy-108547

    44. Cs-0029119

    45. Ft-0661484

    46. Sw196358-4

    47. J-010730

    48. Sr-01000838863-2

    49. Sr-01000838863-3

    50. Q27280286

    51. 1,1'-hexamethylenebis(5-(2-ethylhex-1-yl))biguanidedihydrochloride

    52. 1-[n'-[6-[[amino-[[n'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(2-ethylhexyl)guanidine;dihydrochloride

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 581.7 g/mol
    Molecular Formula C26H58Cl2N10
    Hydrogen Bond Donor Count8
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count23
    Exact Mass580.4222973 g/mol
    Monoisotopic Mass580.4222973 g/mol
    Topological Polar Surface Area178 Ų
    Heavy Atom Count38
    Formal Charge0
    Complexity601
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3