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    Dequalinium Chloride

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    INTERMEDIATES

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    2D Structure
    Also known as: 522-51-0, Dequalinium dichloride, Dequafungan, Dekamin, Decamine, Phylletten
    Molecular Formula
    C30H40Cl2N4
    Molecular Weight
    527.6  g/mol
    InChI Key
    LTNZEXKYNRNOGT-UHFFFAOYSA-N
    FDA UNII
    XYS8INN1I6
    A topical bacteriostat that is available as various salts. It is used in wound dressings and mouth infections and may also have antifungal action, but may cause skin ulceration.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine;dichloride
    2.1.2 InChI
    InChI=1S/C30H38N4.2ClH/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34;;/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3;2*1H
    2.1.3 InChI Key
    LTNZEXKYNRNOGT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=[N+](C2=CC=CC=C2C(=C1)N)CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N)C.[Cl-].[Cl-]
    2.2 Other Identifiers
    2.2.1 UNII
    XYS8INN1I6
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Acetate, Dequalinium

    2. Chloride, Dequalinium

    3. Decamine

    4. Dequadin

    5. Dequalinium

    6. Dequalinium Acetate

    7. Dequalinium Di-10-undecenoate

    8. Dequalinium Diacetate

    9. Dequalinium Dibromide

    10. Dequalinium Dichloride

    11. Dequalinium Diiodide

    12. Dequalinium Diundecenoate

    13. Di-10-undecenoate, Dequalinium

    14. Diacetate, Dequalinium

    15. Dibromide, Dequalinium

    16. Dichloride, Dequalinium

    17. Diiodide, Dequalinium

    18. Diundecenoate, Dequalinium

    19. Dynexan Mhp

    20. Dynexan-mhp

    21. Evazol

    22. Fluomycin

    23. Gargilon

    24. Gurgellsung Ratiopharm

    25. Gurgellsung-ratiopharm

    26. Labosept

    27. Maltyl

    28. Solvidont

    29. Sorot

    2.3.2 Depositor-Supplied Synonyms

    1. 522-51-0

    2. Dequalinium Dichloride

    3. Dequafungan

    4. Dekamin

    5. Decamine

    6. Phylletten

    7. Danical

    8. Decabis

    9. Dequalinium (chloride)

    10. Dequadin

    11. Labosept

    12. Evazol

    13. Sorot

    14. Baqd 10

    15. Dequalinii Chloridum

    16. Dekadin

    17. Dequavagyn

    18. Dequavet

    19. Erosept

    20. Grocreme

    21. Oralgol

    22. Polycidine

    23. Rumilet

    24. Sanoral

    25. Sentril

    26. Cloruro De Decalinio

    27. Efisol

    28. Ivazil

    29. 1,1'-decamethylenebis(4-aminoquinaldinium Chloride)

    30. Dequalin Chloride

    31. Chlorure De Dequalinium

    32. Nordman

    33. Dequalinum Chloride

    34. Xys8inn1i6

    35. 1,10-decamethylene-bis(4-aminoquinaldinium Chloride)

    36. Baqd-10

    37. Decamethylenebis(4-aminoquinaldinium Chloride)

    38. Chebi:31466

    39. Gnf-pf-5483

    40. Nsc-166454

    41. Decaminum

    42. Decosan

    43. Dekuarin

    44. Eriosept

    45. Gorgine

    46. Optipect

    47. Angils

    48. Vaster

    49. Dynexan-mhp

    50. 1,1'-(1,10-decanediyl)bis(4-amino-2-methylquinolinium) Dichloride

    51. 1,1'-(decane-1,10-diyl)bis(4-amino-2-methylquinolin-1-ium) Chloride

    52. Quinolinium, 1,1'-(1,10-decanediyl)bis[4-amino-2-methyl-, Dichloride

    53. 1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine;dichloride

    54. Decamine (pharmaceutical)

    55. Quinolinium, 1,1'-(1,10-decanediyl)bis(4-amino-2-methyl-, Dichloride

    56. Chembl121663

    57. Dequalinio Cloruro

    58. Dequalinio Cloruro [dcit]

    59. Fluomizin

    60. Dequalinii Chloridum [inn-latin]

    61. Sr-01000075814

    62. Ncgc00015339-02

    63. Cas-522-51-0

    64. Cloruro De Decalinio [inn-spanish]

    65. Einecs 208-330-9

    66. Unii-xys8inn1i6

    67. Dequalinium Chloride [inn:ban:jan]

    68. Chlorure De Dequalinium [inn-french]

    69. Nsc 166454

    70. Nordman (tn)

    71. Quinaldinium, 1,1'-decamethylenebis(4-amino)-, Dichloride

    72. Dsstox_cid_25144

    73. Dsstox_rid_80700

    74. Dsstox_gsid_45144

    75. Schembl34043

    76. Spectrum1503127

    77. Dtxsid3045144

    78. Dequalinium Chloride (jan/inn)

    79. Hms502f14

    80. Amy3365

    81. Dequalinium Chloride [mi]

    82. Quinaldinium, 1,1'-decamethylenebis(4-amino-, Dichloride

    83. Dequalinium Chloride [inn]

    84. Dequalinium Chloride [jan]

    85. Hms1569m17

    86. Hms1922g11

    87. Hms2096m17

    88. Hms3261c17

    89. Hms3713m17

    90. Dequalinium Chloride [inci]

    91. Bcp21273

    92. Hy-b0567

    93. Tox21_110128

    94. Tox21_500338

    95. Dequalinium Chloride [mart.]

    96. Mfcd00063502

    97. S4066

    98. Dequalinium Chloride [who-dd]

    99. Akos015895242

    100. Ccg-213734

    101. Lp00338

    102. Dequalinium Chloride For Performance Test

    103. Ncgc00093777-01

    104. Ncgc00093777-02

    105. Ncgc00093777-03

    106. Ncgc00261023-01

    107. As-76177

    108. Dequalinium Chloride [ep Monograph]

    109. Db-052103

    110. Eu-0100338

    111. Ft-0603110

    112. D 3768

    113. D01575

    114. F21484

    115. A829001

    116. Q5261117

    117. Sr-01000075814-1

    118. Sr-01000075814-3

    119. Sr-01000075814-6

    120. Sr-01000075814-7

    121. W-105841

    122. 1,1'-decamethylenebis(4-aminoquinaldinium) Dichloride

    123. 1,1'-(decane-1,10-diyl)bis(4-amino-2-methylquinolinium) Chloride

    124. 1,1'-decane-1,10-diylbis(4-amino-2-methylquinolinium) Dichloride

    125. Deca; Dequavagyn; Nsc 166454; Nsc-166454; Nsc166454

    126. Dequalinium Chloride, European Pharmacopoeia (ep) Reference Standard

    127. 1,1'-(1,10-decanediyl)bis-(4-amino-2-methylquinolinium Chloride)

    128. 1-[(2,4-diamino-5-pyrimidinyl)methyl]-pyridiniumbromidemonohydrobromide

    129. Dequalinium Chloride For Performance Test, European Pharmacopoeia (ep) Reference Standard

    130. Dequalinium Chloride, Pharmaceutical Secondary Standard; Certified Reference Material

    131. Quinolinium, 1,1'-(1,10-decanediyl)bis[4-amino-2-methyl-, Chloride (1:2)

    132. 1-[10-(4-amino-2-methyl-quinolin-1-ium-1-yl)decyl]-2-methyl-quinolin-1-ium-4-amine Dichloride Hydrate

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 527.6 g/mol
    Molecular Formula C30H40Cl2N4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count11
    Exact Mass526.2630027 g/mol
    Monoisotopic Mass526.2630027 g/mol
    Topological Polar Surface Area59.8 Ų
    Heavy Atom Count36
    Formal Charge0
    Complexity532
    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.)