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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 139-08-2, Myristalkonium chloride, N-benzyl-n,n-dimethyltetradecan-1-aminium chloride, Tetradecyldimethylbenzylammonium chloride, Miristalkonium chloride, 68391-01-5

Molecular Formula

C₂₃H₄₂ClN

Molecular Weight

368.0 g/mol

InChI Key

OCBHHZMJRVXXQK-UHFFFAOYSA-M

FDA UNII

0W255OL75T

1 2D Structure

Myristalkonium Chloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

benzyl-dimethyl-tetradecylazanium;chloride

2.1.2 InChI

InChI=1S/C23H42N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1H/q+1;/p-1

2.1.3 InChI Key

OCBHHZMJRVXXQK-UHFFFAOYSA-M

2.1.4 Canonical SMILES

CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]

2.2 Other Identifiers

2.2.1 UNII

0W255OL75T

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Bdta

2. Bzk-c14

3. Tetradecyldimethylbenzammonium Chloride

4. Tetradecyldimethylbenzylammonium Fluoride

5. Zephiramine

6. Zephiramine Alginate

7. Zephiramine Bromide

8. Zephiramine Chloride

9. Zephiramine Chloroiodoiodate (1-)

10. Zephiramine Dichlorotriphenylstannate (1-)

11. Zephiramine Dimethylcarbamodithioate

12. Zephiramine Fluoride

13. Zephiramine Iodide

14. Zephiramine Tetrachlorodimethylstannate (2-) (2:1)

15. Zephiramine Tetrachloromethylstannate (1-)

16. Zephiramine Trichlorodimethylstannate (1-)

17. Zephiramine, (oc-6-21)-pentachloromethylstannate (2-) (2:1)

18. Zephiramine, (tb-5-11)-dichlorotricyclohexylstannate (1-)

2.3.2 Depositor-Supplied Synonyms

1. 139-08-2

2. Myristalkonium Chloride

3. N-benzyl-n,n-dimethyltetradecan-1-aminium Chloride

4. Tetradecyldimethylbenzylammonium Chloride

5. Miristalkonium Chloride

6. 68391-01-5

7. Zephiramine

8. 68424-85-1

9. Benzyl-dimethyl-tetradecylazanium;chloride

10. Benzenemethanaminium, N,n-dimethyl-n-tetradecyl-, Chloride

11. Hyamine 3500

12. Myristyldimethylbenzylammonium Chloride

13. Ammonium, Benzyldimethyltetradecyl-, Chloride

14. Myristyl Dimethyl Benzyl Ammonium Chloride

15. N,n-dimethyl-n-tetradecylbenzenemethanaminium Chloride

16. Tetradecyl Dimethyl Benzyl Ammonium Chloride

17. Quaternary Ammonium Compounds, Benzyl-c12-16-alkyldimethyl, Chlorides

18. Myristyl-benzalkonium Chloride

19. C12-18-alkyldimethylbenzyl Ammonium Chlorides

20. 0w255ol75t

21. Quaternary Ammonium Compounds, Benzyl-c12-18-alkyldimethyl, Chlorides

22. Dibactol

23. Faringets

24. Dsstox_cid_8460

25. Quaternario 14b

26. Sanibond 200lg

27. Zephiramine Chloride

28. Miristalkonium Chloride (inn)

29. Barquat Mb 50

30. Quarton 14 Bcl

31. Barquat Ms 100

32. Arquad Dm14b-90

33. Cloruro De Miristalkonio

34. Chlorur De Miristalkonium

35. Miristalkonium Chloride [inn]

36. Nissan Cation M2-100

37. Protek Q

38. Benzyldimethyltetradecylammonium Chloride Hydrate

39. Rolquat Cdm/bc

40. Black Alg Aetrine

41. Benzyldimethylmyristylammonium Chloride

42. Catigene T80

43. Dimethylbenzylmyristylammonium Chloride

44. Bioquat 80

45. Cyncal 80

46. Dimethylbenzyltetradecylammonium Chloride

47. Barquat Mb 80

48. Bioquat 501

49. Gardiquat 1250af

50. Miristalkonii Chloridum

51. Hsdb 5627

52. Tetradecyl-dimethyl-benzylammonium Chloride

53. Maquat Mc 1412

54. Tret-o-lite Wf 88

55. Miristalkonium Chloride [inn:ban]

56. Btc 824p100

57. Einecs 205-352-0

58. Miristalkonii Chloridum [inn-latin]

59. Tret-o-lite Wf 828

60. Unii-9u1q4t4zys

61. Chlorur De Miristalkonium [inn-french]

62. Cloruro De Miristalkonio [inn-spanish]

63. Unii-0w255ol75t

64. Trimethyl Tetradecylphenyl Ammonium Chloride

65. Zephiran Chloride

66. N-benzyl-n-tetradecyldimethylammonium Chloride

67. Tetradecylbenzyldimethylammonium Chloride

68. Btc 835

69. Alpagelle (tn)

70. Einecs 269-919-4

71. Einecs 270-325-2

72. Benzyl-dimethyl-tetradecyl-ammonium Chloride

73. Sda 16-052-00

74. C12-16-alkyldimethylbenzylammonium Chloride

75. Alkyl(c12-16)dimethylbenzylammonium Chloride

76. (c12-c18)alkylbenzyldimethylammonium Chloride

77. (c12-c18)alkyldimethylbenzylammonium Chloride

78. Alkyl(c12-c18)benzyldimethylammonium Chloride

79. Ec 270-325-2

80. Benzyl-c12-c16-alkyldimethyl Ammonium Chlorides

81. 9u1q4t4zys

82. Dsstox_rid_78652

83. Zephirol Related Compound 1

84. (c12-c18) Alkyldimethylbenzyl Ammonium Chloride

85. Dsstox_gsid_28460

86. Dsstox_gsid_28492

87. Schembl60915

88. Benzyldimethyltetradecylammonium Chloride, Anhydrous

89. Ammonium, Alkyl(c12-c16)dimethylbenzyl-, Chlorides

90. Chembl421049

91. N-alkyl Dimethyl Benzyl Ammonium Chloride (c12-c18)

92. Dtxsid6036384

93. Alkyl(40%c12,50%c14,10%c16) Dimethyl Benzyl Ammonium Chloride

94. Tox21_202570

95. Tox21_303955

96. Quaternary Ammonium Compounds, Benzyl-c12-c16-alkyldimethyl, Chlorides

97. Miristalkonium Chloride [hsdb]

98. Myristalkonium Chloride [inci]

99. Akos015890487

100. Miristalkonium Chloride [mart.]

101. C14-alkylbenzyldimethylammonium Chloride

102. Miristalkonium Chloride [who-dd]

103. Ncgc00260119-01

104. Ncgc00357189-01

105. Tetradecyldimethylbenzyl Ammonium Chloride

106. Bs-23861

107. Cas-68391-01-5

108. Cas-68424-85-1

109. A0208

110. Ft-0621977

111. Ft-0657918

112. Ft-0778233

113. D08223

114. D78371

115. Alkyl (c12-16) Dimethylbenzylammonium Chloride

116. N-benzyl-n,n-dimethyltetradecan-1-aminiumchloride

117. A807480

118. Benzenemethanaminium,n,n-dimethyl-n-tetradecyl-,ch

119. N-benzyl-n,n-dimethyl-1-tetradecanaminium Chloride

120. W-109496

121. Q27231176

122. Benzenemethanaminium, N,n-dimethyl-n-tetradecyl-, Chloride (1:1)

123. Alkyl(5%c12,60%c14,30%c16,5%c18) Dimethyl Benzyl Ammonium Chloride

124. Benzyldimethyltetradecylammonium Chloride 1000 Microg/ml In Acetonitrile

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₄₂ClN
Molecular Weight	368.0 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	15
Exact Mass	367.3005780 g/mol
Monoisotopic Mass	367.3005780 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	265
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	2