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Tox21_202555
Also known as: 112-02-7, Cetyltrimethylammonium chloride, Cetrimonium chloride, N,n,n-trimethylhexadecan-1-aminium chloride, N-hexadecyltrimethylammonium chloride, Cetyl trimethyl ammonium chloride
Molecular Formula
C19H42ClN
Molecular Weight
320.0  g/mol
InChI Key
WOWHHFRSBJGXCM-UHFFFAOYSA-M
FDA UNII
UC9PE95IBP

Cetyltrimethylammonium compound whose salts and derivatives are used primarily as topical antiseptics.
1 2D Structure

Tox21_202555

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
hexadecyl(trimethyl)azanium;chloride
2.1.2 InChI
InChI=1S/C19H42N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1
2.1.3 InChI Key
WOWHHFRSBJGXCM-UHFFFAOYSA-M
2.1.4 Canonical SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]
2.2 Other Identifiers
2.2.1 UNII
UC9PE95IBP
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 1-hexadecyltrimethylammonium Chloride

2. Cetavlon

3. Cetrimide

4. Cetriminium

5. Cetrimonium

6. Cetrimonium Bromide

7. Cetrimonium Chloride

8. Cetrimonium Hydroxide

9. Cetrimonium Iodide

10. Cetrimonium Methosulfate

11. Cetrimonium Methyl Sulfate

12. Cetrimonium Monosulfate

13. Cetyltrimethylammonium Bromide

14. Cetyltrimethylammonium Chloride

15. Ctab

16. Ctaoh

17. Hexadecyl Trimethyl Ammonium Bromide

18. Hexadecyl(trimethyl)azanium

19. Hexadecyltrimethylammonium Bromide

20. Hexadecyltrimethylammonium Octylsulfonate

21. Htab Cpd

22. Octylsulfonate, Hexadecyltrimethylammonium

2.3.2 Depositor-Supplied Synonyms

1. 112-02-7

2. Cetyltrimethylammonium Chloride

3. Cetrimonium Chloride

4. N,n,n-trimethylhexadecan-1-aminium Chloride

5. N-hexadecyltrimethylammonium Chloride

6. Cetyl Trimethyl Ammonium Chloride

7. Hexadecyl Trimethyl Ammonium Chloride

8. Trimethylhexadecylammonium Chloride

9. Genamin Ctac

10. Trimethylcetylammonium Chloride

11. Arquad 16-50

12. Cetac

13. Ctac

14. Htac

15. Palmityltrimethylammonium Chloride

16. Arquad 16-29

17. 1-hexadecanaminium, N,n,n-trimethyl-, Chloride

18. Hexadecyl(trimethyl)azanium;chloride

19. N,n,n-trimethyl-1-hexadecanaminium Chloride

20. Hexadecyl(trimethyl)ammonium Chloride

21. Cetyltrimethyl Ammonium Chloride

22. Chebi:53581

23. Uc9pe95ibp

24. C14-18-alkyltrimethyl Ammonium Chlorides

25. 68002-63-1

26. Cetyl(trimethyl)ammonium Chloride

27. Dehyquart A

28. Trimethyl-1-hexadecanaminium Chloride

29. Aliquat 6

30. Quaternary Ammonium Compounds, C14-18-alkyltrimethyl, Chlorides

31. Adogen 444

32. Surfroyal Ctac

33. Dehyquart A-ca

34. Morpan Cha

35. Quartamin 60w

36. Ammonyx Cetac 30

37. Arquad 16

38. Intexsan Ctc 29

39. Intexsan Ctc 50

40. Barquat Ct 29

41. Intexan Ctc 29

42. Variquat E 228

43. Carsoquat Ct 429

44. Cation Pb 40

45. Hdtma-cl

46. Catinal Ctc 70et

47. Dodigen 1383

48. Lebon Tm 16

49. Lebon Tm 60

50. Caswell No. 167a

51. Pionin B 611

52. Nissan Cation Pb 40

53. Arquad 16-25lo

54. Swanol Ca 2350

55. Arquad 16-25w

56. Arquad 16-29w

57. Arquad 16-26

58. Arquad 16/28

59. Quatramine C 16/29

60. Fsm 28

61. Hsdb 5553

62. Pb 40

63. Einecs 203-928-6

64. Unii-uc9pe95ibp

65. Mfcd00011773

66. Epa Pesticide Chemical Code 069133

67. Surfaktivo (tn)

68. Hexadecyl(trimethyl)azanium Chloride

69. Einecs 268-077-5

70. Ammonium, Hexadecyltrimethyl-, Chloride

71. (c14-c18)alkyltrimethylammonium Chloride

72. Dsstox_cid_6901

73. Jeequat Ct-29

74. Epitope Id:116882

75. Varisoft 300

76. Ec 203-928-6

77. Cetrimonium Chloride (ban)

78. Dsstox_rid_78243

79. Dsstox_gsid_26901

80. Schembl24536

81. Nikkol Ca-2350

82. Arquad Pc 16-29w

83. Cetyl Trimethylammonium Chloride

84. Cetyltrimethyl-ammonium Chloride

85. 1-hexadecanaminium, N,n,n-trimethyl-, Chloride (1:1)

86. Chembl1895807

87. Dtxsid6026901

88. Cetrimonium Chloride [ii]

89. Cetrimonium Chloride [inci]

90. Hexadecyltrimethyl Ammonium Chloride

91. Amy33367

92. Tox21_202555

93. Cetrimonium Chloride [mart.]

94. Cetrimonium Chloride [who-dd]

95. Akos015899168

96. Akos015960532

97. (1-hexadecyl)trimethylammonium Chloride

98. Cs-w012007

99. Fs-4302

100. Ncgc00164283-02

101. Ncgc00260104-01

102. Cas-112-02-7

103. N,n,n-trimethylhexadecan-1-aminiumchloride

104. Db-025307

105. Ft-0631635

106. H0082

107. (1-hexadecyl)trimethylammonium Chloride, 96%

108. D07672

109. Trimethylhexadecylammonium Chloride [hsdb]

110. A802470

111. Q1061007

112. Tetrahydro-4-methyl-2-(2-methyl-1-propen-1-yl)-

113. W-108660

2.4 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 320.0 g/mol
Molecular Formula C19H42ClN
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count15
Exact Mass319.3005780 g/mol
Monoisotopic Mass319.3005780 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count21
Formal Charge0
Complexity181
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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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