Thonzonium Bromide

Synopsis, Chemistry

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Also known as: 553-08-2, Thonzide, Tonzonium bromide, Thonzonium (bromide), Nc 1264, Nsc-5648

Molecular Formula

C₃₂H₅₅BrN₄O

Molecular Weight

591.7 g/mol

InChI Key

WBWDWFZTSDZAIG-UHFFFAOYSA-M

FDA UNII

JI2B19CR0R

Thonzonium Bromide is a cationic surface-active compound. As an additive to pharmacologic formulations, thonzonium bromide causes dispersion and penetration of cellular debris and exudate, thereby promoting tissue contact of the administered medication.

1 2D Structure

Thonzonium Bromide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

hexadecyl-[2-[(4-methoxyphenyl)methyl-pyrimidin-2-ylamino]ethyl]-dimethylazanium;bromide

2.1.2 InChI

InChI=1S/C32H55N4O.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-36(2,3)28-26-35(32-33-24-19-25-34-32)29-30-20-22-31(37-4)23-21-30;/h19-25H,5-18,26-29H2,1-4H3;1H/q+1;/p-1

2.1.3 InChI Key

WBWDWFZTSDZAIG-UHFFFAOYSA-M

2.1.4 Canonical SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CCN(CC1=CC=C(C=C1)OC)C2=NC=CC=N2.[Br-]

2.2 Other Identifiers

2.2.1 UNII

JI2B19CR0R

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 553-08-2

2. Thonzide

3. Tonzonium Bromide

4. Thonzonium (bromide)

5. Nc 1264

6. Nsc-5648

7. Tonzonium Bromide [inn]

8. Thonzonium Bromide [usan]

9. Ji2b19cr0r

10. Mls002154065

11. N-(2-((4-methoxybenzyl)(pyrimidin-2-yl)amino)ethyl)-n,n-dimethylhexadecan-1-aminium Bromide

12. Hexadecyl-[2-[(4-methoxyphenyl)methyl-pyrimidin-2-ylamino]ethyl]-dimethylazanium;bromide

13. Nc-1264

14. Smr001233380

15. Tonzonium Bromide (inn)

16. Hexadecyl(2-((p-methoxybenzyl)-2-pyrimidinylamino)ethyl)dimethylammonium Bromide

17. Hexadecyl(2-[(p-methoxybenzyl)-2-pyrimidinylamino]ethyl)dimethylammonium Bromide

18. Thonzonium Bromide (usan)

19. Dsstox_cid_25326

20. Dsstox_rid_80805

21. Dsstox_gsid_45326

22. Tonzonii Bromidum

23. Hexadecyl[2-([p-methoxybenzyl]-2-pyrimidinylamino)ethyl]dimethyl-ammonium Bromide

24. 1-hexadecanaminium, N-(2-(((4-methoxyphenyl)methyl)-2-pyrimidinylamino)ethyl)-n,n-dimethyl-, Bromide

25. Bromuro De Tonzonio

26. Bromure De Tonzonium

27. Sr-01000841261

28. Ncgc00016507-01

29. Cas-553-08-2

30. Unii-ji2b19cr0r

31. Tonzoniumbromid

32. Nebair

33. Tonzonii Bromidum [inn-latin]

34. Thonzonium Bromide [usan:usp]

35. Hexadecyl[2-[(p-methoxybenzyl)-2-pyrimidinylamino]ethyl]dimethylammonium Bromide

36. Bromure De Tonzonium [inn-french]

37. Bromuro De Tonzonio [inn-spanish]

38. Thonzide (tn)

39. Nsc 5648

40. Einecs 209-032-1

41. Schembl60801

42. Regid_for_cid_11102

43. Thonzonium Bromide [mi]

44. Chembl1200883

45. Dtxsid1045326

46. Nsc5648

47. Tonzonium Bromide [mart.]

48. Hms1570j12

49. Hms2097j12

50. Hms2234h11

51. Hms3714j12

52. Pharmakon1600-01503873

53. Thonzonium Bromide [vandf]

54. Tonzonium Bromide [who-dd]

55. Hy-b1246

56. Thonzonium Bromide [usp-rs]

57. Tox21_110463

58. Nsc760359

59. Akos026750378

60. Tox21_110463_1

61. Ccg-213228

62. Cs-4957

63. Nsc-760359

64. Sb60438

65. Thonzonium Bromide [orange Book]

66. Ncgc00016507-05

67. D02140

68. Coly-mycin S Component Thonzonium Bromide

69. A913807

70. Q7795979

71. Sr-01000841261-2

72. Sr-01000841261-3

73. Thonzonium Bromide Component Of Coly-mycin S

74. Cetyl[2-[(p-methoxybenzyl)-2-pyrimidinylamino]ethyl]dimethylammonium Bromide

75. Ammonium, Hexadecyl(2-((p-methoxybenzyl)-2-pyrimidinylamino)ethyl)dimethyl-, Bromide

76. Hexadecyl[2-([p-methoxybenzyl]-2-pyrimidinylamino)ethyl]dimethyl-ammoniumbromide

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₃₂H₅₅BrN₄O
Molecular Weight	591.7 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	22
Exact Mass	590.35592 g/mol
Monoisotopic Mass	590.35592 g/mol
Topological Polar Surface Area	38.2 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	515
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