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Cetrimide

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Also known as: 1119-97-7, Myristyltrimethylammonium bromide, Tetradecyltrimethylammonium bromide, Tetradonium bromide, Mitmab, N,n,n-trimethyltetradecan-1-aminium bromide

Molecular Formula

C₁₇H₃₈BrN

Molecular Weight

336.4 g/mol

InChI Key

CXRFDZFCGOPDTD-UHFFFAOYSA-M

FDA UNII

8483H94W1E

1 2D Structure

Cetrimide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

trimethyl(tetradecyl)azanium;bromide

2.1.2 InChI

InChI=1S/C17H38N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1

2.1.3 InChI Key

CXRFDZFCGOPDTD-UHFFFAOYSA-M

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

8483H94W1E

2.3 Synonyms

2.3.1 MeSH Synonyms

1. C14qac

2. Catrimox-14

3. Myristyl Trimethylammonium Bromide

4. Tdtma Cpd

5. Tetradecyl-trimethylammonium Bromide

6. Tetradecyltrimethylammonium

7. Tetradecyltrimethylammonium Bromide

8. Tetradecyltrimethylammonium Chloride

9. Tetradecyltrimethylammonium Hydroxide

10. Tetradecyltrimethylammonium Iodide

11. Tetradecyltrimethylammonium Mesylate

12. Tetradecyltrimethylammonium Oxalate

13. Trimethyl Tetradecyl Ammonium Bromide

14. Trimethyltetradecylammonium Bromide

15. Ttab Cpd

2.3.2 Depositor-Supplied Synonyms

1. 1119-97-7

2. Myristyltrimethylammonium Bromide

3. Tetradecyltrimethylammonium Bromide

4. Tetradonium Bromide

5. Mitmab

6. N,n,n-trimethyltetradecan-1-aminium Bromide

7. Tetradecyl Trimethyl Ammonium Bromide

8. Mytab

9. Myrtrimonium Bromide

10. 8044-71-1

11. Ttab

12. Trimethyl(tetradecyl)azanium;bromide

13. Tetradonium Bromide [inn]

14. 1-tetradecanaminium, N,n,n-trimethyl-, Bromide

15. Trimethyl(tetradecyl)ammonium Bromide

16. Ammonium, Trimethyltetradecyl-, Bromide

17. Trimethyltetradecylammonium Bromide

18. Trimethyl(tetradecyl)azanium Bromide

19. Mtab

20. Chebi:3565

21. Tetradecyltrimethylammonium (bromide)

22. 8483h94w1e

23. 1-tetradecanaminium, N,n,n-trimethyl-, Bromide (1:1)

24. Morpan T

25. Quaternium 13

26. Dsstox_cid_24367

27. Dsstox_rid_80175

28. Dsstox_gsid_44367

29. Myrtrimonium Bromide;cetrimide Bp; Mtab; Microcide Ii; Morpan T;

30. Chembl113150

31. Tetradonio Bromuro

32. Tetradonio Bromuro [dcit]

33. Tetradonii Bromidum

34. Mfcd00011770

35. Cas-1119-97-7

36. Bromuro De Tetradonio

37. Trimethylmyristylammonium Bromide

38. Bromure De Tetradonium

39. Tetradonii Bromidum [inn-latin]

40. Ncgc00166121-01

41. Einecs 214-291-9

42. Bromure De Tetradonium [inn-french]

43. Bromuro De Tetradonio [inn-spanish]

44. Quammonium

45. N,n,n-trimethyl-1-tetradecanaminium Bromide

46. Cetrimide Bromide

47. Unii-8483h94w1e

48. Myristyl Trimethyl Ammonium Bromide

49. N-tetradecyltrimethylammonium Bromide

50. Dynamin Inhibitor Ii

51. Sumquat 6110

52. (1-tetradecyl)trimethylammonium Bromide

53. Ammonium, Tetradecyltrimethyl-, Bromide

54. Ec 214-291-9

55. Schembl59988

56. Myristyltrimethylaminium Bromide

57. Dtxsid0044367

58. Rhodaquat M-214c/99

59. Tetradecyltrimethylammmonium Bromide

60. Myrtrimonium Bromide [inci]

61. Hy-d0839

62. Trimethyltetradecyl Ammonium Bromide

63. Tox21_112327

64. Tox21_302067

65. Akos015907427

66. Tox21_112327_1

67. Jc10043

68. Ncgc00166121-03

69. Ncgc00255707-01

70. As-12887

71. N,n,n-trimethyltetradecan-1-aminiumbromide

72. Db-050409

73. B7620

74. Cs-0014809

75. Ft-0604996

76. Myristyltrimethylammonium Bromide [mi]

77. T0906

78. (1-tetradecyl)trimethylammonium Bromide, 98%

79. D02164

80. F21408

81. T-6750

82. A802464

83. A839915

84. Q27106133

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₃₈BrN
Molecular Weight	336.4 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	13
Exact Mass	335.21876 g/mol
Monoisotopic Mass	335.21876 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	158
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

Detergents

Purifying or cleansing agents, usually salts of long-chain aliphatic bases or acids, that exert cleansing (oil-dissolving) and antimicrobial effects through a surface action that depends on possessing both hydrophilic and hydrophobic properties. (See all compounds classified as Detergents.)

Surface-Active Agents

Agents that modify interfacial tension of water; usually substances that have one lipophilic and one hydrophilic group in the molecule; includes soaps, detergents, emulsifiers, dispersing and wetting agents, and several groups of antiseptics. (See all compounds classified as Surface-Active Agents.)

4.2 ATC Code

D - Dermatologicals

D08 - Antiseptics and disinfectants

D08A - Antiseptics and disinfectants

D08AJ - Quaternary ammonium compounds

D08AJ04 - Cetrimide

D - Dermatologicals

D11 - Other dermatological preparations

D11A - Other dermatological preparations

D11AC - Medicated shampoos

D11AC01 - Cetrimide