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    Chemistry

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    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
    Alexidine Dihydrochloride
    1 2D Structure

    Alexidine Dihydrochloride

    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

    API Reference Price

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    02-Aug-2024
    02-Aug-2024
    KGS
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