Tinosorb S Aqua

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Chemistry

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Also known as: 187393-00-6, Tinosorb s, Bis-ethylhexyloxyphenol methoxyphenyl triazine, Tinosorb s aqua, Bemotrizinol [usan], Fat 70'884

Molecular Formula

C₃₈H₄₉N₃O₅

Molecular Weight

627.8 g/mol

InChI Key

XVAMCHGMPYWHNL-UHFFFAOYSA-N

FDA UNII

PWZ1720CBH

BEMOTRIZINOL is a small molecule drug with a maximum clinical trial phase of III and has 1 investigational indication.

1 2D Structure

Tinosorb S Aqua

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-(2-ethylhexoxy)-2-[4-[4-(2-ethylhexoxy)-2-hydroxyphenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol

2.1.2 InChI

InChI=1S/C38H49N3O5/c1-6-10-12-26(8-3)24-45-30-18-20-32(34(42)22-30)37-39-36(28-14-16-29(44-5)17-15-28)40-38(41-37)33-21-19-31(23-35(33)43)46-25-27(9-4)13-11-7-2/h14-23,26-27,42-43H,6-13,24-25H2,1-5H3

2.1.3 InChI Key

XVAMCHGMPYWHNL-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

PWZ1720CBH

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Bis-ethylhexyloxyphenol Methoxyphenyl Triazine

2. Tinosorb S

2.3.2 Depositor-Supplied Synonyms

1. 187393-00-6

2. Tinosorb S

3. Bis-ethylhexyloxyphenol Methoxyphenyl Triazine

4. Tinosorb S Aqua

5. Bemotrizinol [usan]

6. Fat 70'884

7. Bemotrizinol [usan:inn]

8. Cgf 1607

9. Pwz1720cbh

10. Nsc-759870

11. Tinosorb S (tn)

12. 2,2'-(6-(4-methoxyphenyl)-1,3,5-triazine-2,4-diyl)bis(5-((2-ethylhexyl)oxy)phenol)

13. Bemotrizinol [mi]

14. Fat-70884

15. 5-[(2-ethylhexyl)oxy]-2-(4-{4-[(2-ethylhexyl)oxy]-2-hydroxyphenyl}-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl)phenol

16. Bemotrizinol [inn]

17. Bemotrizinol [mart.]

18. Bemotrizinol [usp-rs]

19. Bemotrizinol [who-dd]

20. Dtxsid40896984

21. Phenol, 2,2'-(6-(4-methoxyphenyl)-1,3,5-triazine-2,4-diyl)bis(5-((2-ethylhexyl)oxy)-

22. Nsc 759870

23. 2,2'-[6-(4-methoxyphenyl)-1,3,5-triazine-2,4-diyl]bis{5-[(2-ethylhexyl)oxy]phenol}

24. Bemotrizinol (mart.)

25. Bemotrizinol (usp-rs)

26. Phenol, 2,2'-[6-(4-methoxyphenyl)-1,3,5-triazine-2,4-diyl]bis[5-[(2-ethylhexyl)oxy]-

27. Bemotrizinolum

28. 5-((2-ethylhexyl)oxy)-2-(4-(4-((2-ethylhexyl)oxy)-2-hydroxyphenyl)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl)phenol

29. Dtxcid701326412

30. Bis-ethylhexyloxyphenol Methoxyphenyl Triazine [inci]

31. 425-950-7

32. 933-511-0

33. Bemt

34. Phenol,2,2'-[6-(4-methoxyphenyl)-1,3,5-triazine-2,4-diyl]bis[5-[(2-ethylhexyl)oxy]-

35. 6,6'-(6-(4-methoxyphenyl)-1,3,5-triazine-2,4-diyl)bis(3-((2-ethylhexyl)oxy)phenol)

36. Mfcd08435974

37. Bemotrizinol ;cgf 1607

38. 2,4-bis[4-(2-ethylhexyloxy)-2-hydroxyphenyl]-6-(4-methoxyphenyl)-1,3,5-triazine

39. Unii-pwz1720cbh

40. Bemotrizinol (standard)

41. Bemotrizinol (usan/inn)

42. Schembl77320

43. Schembl649229

44. Chembl2104956

45. Bemotrizinol, Analytical Standard

46. Msk3427

47. Chebi:135857

48. Hms3264f07

49. Pharmakon1600-01503863

50. Bcp20168

51. Hy-w099730r

52. Nsc759870

53. Zb0626

54. Akos030621549

55. Db11206

56. Hy-w099730

57. Ncgc00261970-01

58. 5-(2-ethylhexoxy)-2-[4-[4-(2-ethylhexoxy)-2-hydroxyphenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol

59. As-73952

60. Fb161854

61. Sy041028

62. B6145

63. Cs-0152372

64. Ns00077719

65. D03227

66. F20693

67. Ab01563045_01

68. En300-23553143

69. Q4885134

70. Brd-a92974210-396-01-0

71. Bemotrizinol, United States Pharmacopeia (usp) Reference Standard

72. Bemt; Bis-ethylhexyloxyphenol Methoxyphenyl Triazine; Tinosorb S

73. 2,4-bis[4-(2-ethylhexyloxy)-2-hydroxyphenyl]-6-(4-methoxyphenyl)-1,3,5-triazine (bemotrizinol)

2.4 Create Date

2019-01-15

3 Chemical and Physical Properties

Molecular Formula	C₃₈H₄₉N₃O₅
Molecular Weight	627.8 g/mol
XLogP3	10.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	18
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	107
Heavy Atom Count	46
Formal Charge	0
Complexity	761
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Drug and Medication Information

4.1 Drug Indication

Indicated as an active sunscreen agent.

5 Pharmacology and Biochemistry

5.1 Absorption, Distribution and Excretion

Absorption