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Chemistry

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Also known as: 69004-03-1, Baycox, Toltrazurilo, Toltrazurilum, Bay vi 9142, Bay-i 9142
Molecular Formula
C18H14F3N3O4S
Molecular Weight
425.4  g/mol
InChI Key
OCINXEZVIIVXFU-UHFFFAOYSA-N
FDA UNII
QVZ3IAR3JS

Toltrazuril
1 2D Structure

Toltrazuril

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-methyl-3-[3-methyl-4-[4-(trifluoromethylsulfanyl)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione
2.1.2 InChI
InChI=1S/C18H14F3N3O4S/c1-10-9-11(24-16(26)22-15(25)23(2)17(24)27)3-8-14(10)28-12-4-6-13(7-5-12)29-18(19,20)21/h3-9H,1-2H3,(H,22,25,26)
2.1.3 InChI Key
OCINXEZVIIVXFU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C=CC(=C1)N2C(=O)NC(=O)N(C2=O)C)OC3=CC=C(C=C3)SC(F)(F)F
2.2 Other Identifiers
2.2.1 UNII
QVZ3IAR3JS
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Bay I 9142

2. Bay I-9142

3. Bay-i 9142

4. Baycox

2.3.2 Depositor-Supplied Synonyms

1. 69004-03-1

2. Baycox

3. Toltrazurilo

4. Toltrazurilum

5. Bay Vi 9142

6. Bay-i 9142

7. 1-methyl-3-[3-methyl-4-[4-(trifluoromethylsulfanyl)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione

8. Qvz3iar3js

9. Nsc-759176

10. Bay-vi-9142

11. 1,3,5-triazine-2,4,6(1h,3h,5h)-trione, 1-methyl-3-(3-methyl-4-(4-((trifluoromethyl)thio)phenoxy)phenyl)-

12. 1-methyl-3-(3-methyl-4-(4-((trifluoromethyl)thio)phenoxy)phenyl)-1,3,5-triazinane-2,4,6-trione

13. Toltrazurilum [latin]

14. Toltrazurilo [spanish]

15. 1,3,5-triazine-2,4,6(1h,3h,5h)-trione, 1-methyl-3-[3-methyl-4-[4-[(trifluoromethyl)thio]phenoxy]phenyl]-

16. Sr-05000001740

17. Unii-qvz3iar3js

18. Toltrazuril [usan:inn:ban]

19. Toltrazuril;

20. 1-methyl-3-(3-methyl-4-(4-(trifluoromethylthio)phenoxy)phenyl)-1,3,5-triazinane-2,4,6-trione

21. 1-methyl-3-[3-methyl-4-[4-(trifluoromethylthio)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione

22. Mfcd00867201

23. Toltrazuril [mi]

24. Toltrazuril [inn]

25. Toltrazuril (usan/inn)

26. Toltrazuril [usan]

27. 1-methyl-3-(4-(p-((trifluoromethyl)thio)phenoxy)-m-tolyl)-s-triazine-2,4,6(1h,3h,5h)-trione

28. Toltrazuril [mart.]

29. Mls006010653

30. Schembl248912

31. Chembl2104931

32. Chebi:93130

33. Dtxsid90219063

34. Hms2090d08

35. Hms3652o21

36. Hms3715k22

37. Pharmakon1600-01505681

38. Zinc538476

39. Procox Component Toltrazuril

40. Amy37048

41. Bcp11761

42. Hy-b0175

43. Ac-792

44. Dl-522

45. Nsc759176

46. S4044

47. Akos015889482

48. Toltrazuril Component Of Procox

49. Ccg-213509

50. Cs-2051

51. Ds-3379

52. Nsc 759176

53. Ncgc00263905-02

54. Ncgc00263905-04

55. Toltrazuril [ema Epar Veterinary]

56. 1-methyl-3-{3-methyl-4-(4-(trifluoromethylthio)phenoxy)phenyl}-1,3,5-triazine-2,4,6(1h,3h,5h)-trione

57. Smr000857261

58. Sbi-0206811.p001

59. Toltrazuril 100 Microg/ml In Acetonitrile

60. Db-055214

61. Ft-0630780

62. Sw199566-2

63. C76180

64. D06187

65. Ab01563104_01

66. Ab01563104_02

67. Toltrazuril, Vetranal(tm), Analytical Standard

68. 004t031

69. A836306

70. Q1470932

71. Sr-05000001740-1

72. Sr-05000001740-2

73. Brd-k64514229-001-01-1

74. 1,3,5-triazine-2,4,6(1h,3h,5h)-trione,?1-methyl-3-[3-methyl-4-[4-[(trifluoromethyl)thio]phenoxy]phenyl]-

75. 1-methyl-3-[3-methyl-4-[4[(trifluoromethyl)thio]phenoxy]phenyl]-1,3,5-triazine-2,4,6(1h,3h,5h)-trione

2.4 Create Date
2005-08-01
3 Chemical and Physical Properties
Molecular Weight 425.4 g/mol
Molecular Formula C18H14F3N3O4S
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass425.06571160 g/mol
Monoisotopic Mass425.06571160 g/mol
Topological Polar Surface Area104 Ų
Heavy Atom Count29
Formal Charge0
Complexity655
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Coccidiostats

Agents useful in the treatment or prevention of COCCIDIOSIS in man or animals. (See all compounds classified as Coccidiostats.)


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13-Feb-2021
20-Sep-2024
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