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Chemistry

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Also known as: 57-09-0, Cetyltrimethylammonium bromide, Hexadecyltrimethylammonium bromide, Ctab, Bromat, Cetab

Molecular Formula

C₁₉H₄₂BrN

Molecular Weight

364.4 g/mol

InChI Key

LZZYPRNAOMGNLH-UHFFFAOYSA-M

FDA UNII

L64N7M9BWR

Cetyltrimethylammonium compound whose salts and derivatives are used primarily as topical antiseptics.

1 2D Structure

Cetrimonium Bromide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

hexadecyl(trimethyl)azanium;bromide

2.1.2 InChI

InChI=1S/C19H42N.BrH/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

LZZYPRNAOMGNLH-UHFFFAOYSA-M

2.1.4 Canonical SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]

2.2 Other Identifiers

2.2.1 UNII

L64N7M9BWR

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1-hexadecyltrimethylammonium Chloride

2. Cetavlon

3. Cetrimide

4. Cetriminium

5. Cetrimonium

6. Cetrimonium Chloride

7. Cetrimonium Hydroxide

8. Cetrimonium Iodide

9. Cetrimonium Methosulfate

10. Cetrimonium Methyl Sulfate

11. Cetrimonium Monosulfate

12. Cetyltrimethylammonium Bromide

13. Cetyltrimethylammonium Chloride

14. Ctab

15. Ctaoh

16. Hexadecyl Trimethyl Ammonium Bromide

17. Hexadecyl(trimethyl)azanium

18. Hexadecyltrimethylammonium Bromide

19. Hexadecyltrimethylammonium Octylsulfonate

20. Htab Cpd

21. Octylsulfonate, Hexadecyltrimethylammonium

2.3.2 Depositor-Supplied Synonyms

1. 57-09-0

2. Cetyltrimethylammonium Bromide

3. Hexadecyltrimethylammonium Bromide

4. Ctab

5. Bromat

6. Cetab

7. Centimide

8. Ctmab

9. Acetoquat Ctab

10. Cee Dee

11. Hexadecyl Trimethyl Ammonium Bromide

12. Cetyl Trimethyl Ammonium Bromide

13. Trimethylcetylammonium Bromide

14. Cetaflon

15. Cetavlon

16. Lauroseptol

17. Lissolamine

18. Pollacid

19. Quamonium

20. Suticide

21. Cetarol

22. Micol

23. Cetrimide Bp

24. Lissolamine A

25. Cetavlon Bromide

26. Lissolamin V

27. N-cetyltrimethylammonium Bromide

28. Cetrimonium (bromide)

29. Cycloton V

30. Cirrasol Od

31. Softex Kw

32. Cetrimonii Bromidum

33. Hexadecyltrimethylammoniumbromide

34. Bromuro De Cetrimonio

35. N,n,n-trimethylhexadecan-1-aminium Bromide

36. Trimethylhexadecylammonium Bromide

37. Bromure De Cetrimonium

38. N-hexadecyltrimethylammonium Bromide

39. (1-hexadecyl)trimethylammonium Bromide

40. Palmityltrimethyl Ammonium Bromide

41. N,n,n-trimethyl-1-hexadecanaminium Bromide

42. N,n,n-trimethylcetylammonium Bromide

43. 1-hexadecanaminium, N,n,n-trimethyl-, Bromide

44. Hexadecyl(trimethyl)azanium;bromide

45. N-hexadecyl-n,n,n-trimethylammonium Bromide

46. Chebi:3567

47. Sumquat 6030

48. 1-hexadecyltrimethylammonium Bromide

49. Nsc-32927

50. Cetrimonium Bromide (ctab)

51. L64n7m9bwr

52. Cetyl Trimethylammonium Bromide

53. Chembl307346

54. Hexadecyltrimethylazanium Bromide

55. Hexadecyl-trimethyl-ammonium; Bromide

56. Ncgc00164283-01

57. Cetrimida

58. Mical

59. Cirrasol-od

60. Dsstox_cid_17028

61. Dsstox_rid_79297

62. Dsstox_gsid_37028

63. Bromat (van)

64. Micol (van)

65. Caswell No. 167

66. Lissolamine V (van)

67. Cetavlex

68. Cradocap

69. Zetrimid

70. Cetrimide [inn:ban:jan]

71. Cetyltrimethylammonium (bromide);hexadecyltrimethylammonium (bromide);ctab

72. Cetrimonio Bromuro

73. Cetrimonio Bromuro [dcit]

74. Cetrimonium Bromide [inn]

75. Cas-57-09-0

76. Ctabr

77. Palmityltrimethylammonium Bromide

78. Cetrimonii Bromidum [inn-latin]

79. Sr-05000001830

80. Einecs 200-311-3

81. Bromure De Cetrimonium [inn-french]

82. Bromuro De Cetrimonio [inn-spanish]

83. Mfcd00011772

84. Nsc 32927

85. Cetyltrimethylammoniumbromide

86. Unii-l64n7m9bwr

87. Epa Pesticide Chemical Code 069117

88. Ai3-12209

89. Cetrimoniumbromide

90. Cetyl N

91. Hexadecanyltrimethylammonium Bromide

92. Hexadecyl(trimethyl)azanium Bromide

93. Cetrimonium Bromide [inn:ban:nf]

94. Hexadecyl(trimethyl)ammonium Bromide

95. Ammonium, Hexadecyltrimethyl-, Bromide

96. Epitope Id:116869

97. Unii-24qsh2nl8n

98. Ec 200-311-3

99. Schembl4377

100. 24qsh2nl8n

101. Zephirol Related Compound 5

102. Cetyltrimethyl Ammonium Bromide

103. Cetyltrimethyl-ammonium Bromide

104. Spectrum1503200

105. Cetrimonium Bromide (nf/inn)

106. Cetyl Trimethyl-ammonium Bromide

107. Cetrimonium Bromide [mi]

108. Dtxsid5037028

109. Hms500k11

110. Rhodaquat M-242b/99

111. Hexadecyl-trimethylammonium Bromide

112. N,n-trimethylcetylammonium Bromide

113. Cetrimonium Bromide [inci]

114. Hms1922g21

115. Hms2092l22

116. Hms3652j19

117. Pharmakon1600-01503200

118. Cetrimonium Bromide [vandf]

119. Ronacare Cetrimonium Bromide

120. Cetrimonium Bromide [mart.]

121. Hexadecyl-trimethyl Ammonium Bromide

122. Hy-b1260

123. Nsc32927

124. Tox21_112096

125. Tox21_300853

126. Ccg-39968

127. Cetrimonium Bromide [usp-rs]

128. Cetrimonium Bromide [who-dd]

129. Nsc758401

130. S4242

131. Scintigest™ Tissue Solubilizer

132. Stl477543

133. Akos015915119

134. Tox21_112096_1

135. Cs-4893

136. Jc10039

137. Nsc-758401

138. Sb40734

139. Hexadecyltrimethylammonium Bromide, 99%

140. N,n-trimethyl-1-hexadecanaminium Bromide

141. Ncgc00095012-01

142. Ncgc00095012-02

143. Ncgc00164283-07

144. Ncgc00254756-01

145. As-11739

146. Bp-30064

147. N-hexadecyl-n,n-trimethylammonium Bromide

148. Wln: 16k1&1&1 &q &e

149. Hexadecyltrimethylammonium Bromide, >=98%

150. 1-hexadecanaminium,n,n-trimethyl-, Bromide

151. Db-050366

152. Ft-0652251

153. Ft-0655369

154. H0081

155. Sw220088-1

156. A16438

157. D03454

158. Hexadecyltrimethylammonium Bromide, Ar, >=99%

159. A831309

160. Q416077

161. Hexadecyltrimethylammonium Bromide, >=96.0% (at)

162. Hexadecyltrimethylammonium Bromide, Bioxtra, >=99%

163. Q-200821

164. Sr-05000001830-1

165. Sr-05000001830-3

166. Hexadecyltrimethylammonium Bromide, Analytical Standard

167. 1-hexadecanaminium, N,n,n-trimethyl-, Bromide (1:1)

168. Hexadecyltrimethylammonium Bromide, Bioultra, >=99.0% (at)

169. Hexadecyltrimethylammonium Bromide, For Ion Pair Chromatography

170. Hexadecyltrimethylammonium Bromide, For Molecular Biology, >=99%

171. Hexadecyltrimethylammonium Bromide, Vetec(tm) Reagent Grade, 96%

172. Cetrimonium Bromide, United States Pharmacopeia (usp) Reference Standard

173. Hexadecyltrimethylammonium Bromide, Bioultra, For Molecular Biology, >=99.0% (at)

174. Hexadecyltrimethylammonium Bromide, Puriss. P.a., Matrix Substance For Maldi-ms

175. Hexadecyltrimethylammonium Bromide, Pharmagrade, Usp/nf, Manufactured Under Appropriate Controls For Pharma Or Biopharmaceutical Production.

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₄₂BrN
Molecular Weight	364.4 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	15
Exact Mass	363.25006 g/mol
Monoisotopic Mass	363.25006 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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