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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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ACTIVE PHARMA INGREDIENTS

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16 FDF Dossiers, 8 Europe, 4 Canada, 2 South Africa, 2 Listed Dossiers

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8 Europe
4 Canada
2 South Africa
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REF. STANDARDS & IMPURITIES

1 EDQM , 1 Others

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1 EDQM
1 Others

Lebsa dequalinium chloride

Synopsis

ACTIVE PHARMA INGREDIENTS

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Chemistry

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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

Dequalinium Chloride

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 Formula	C₃₀H₄₀Cl₂N₄
Molecular Weight	527.6 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	11
Exact Mass	526.2630027 g/mol
Monoisotopic Mass	526.2630027 g/mol
Topological Polar Surface Area	59.8 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	532
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3

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.)

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API Reference Price

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