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ACTIVE PHARMA INGREDIENTS

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Chemistry

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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

Cetyl Trimethyl Ammonium Chloride

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 Formula	C₁₉H₄₂ClN
Molecular Weight	320.0 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	15
Exact Mass	319.3005780 g/mol
Monoisotopic Mass	319.3005780 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	181
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

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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