Decoquinate

Synopsis, Chemistry

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Also known as: 18507-89-6, Deccox, Decoxy, Ethyl 6-(decyloxy)-7-ethoxy-4-hydroxyquinoline-3-carboxylate, Hc 1528, M&b 15497

Molecular Formula

C₂₄H₃₅NO₅

Molecular Weight

417.5 g/mol

InChI Key

JHAYEQICABJSTP-UHFFFAOYSA-N

FDA UNII

534I52PVWH

A coccidiostat for poultry.

1 2D Structure

Decoquinate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 6-decoxy-7-ethoxy-4-oxo-1H-quinoline-3-carboxylate

2.1.2 InChI

InChI=1S/C24H35NO5/c1-4-7-8-9-10-11-12-13-14-30-21-15-18-20(16-22(21)28-5-2)25-17-19(23(18)26)24(27)29-6-3/h15-17H,4-14H2,1-3H3,(H,25,26)

2.1.3 InChI Key

JHAYEQICABJSTP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCCCCCCOC1=C(C=C2C(=C1)C(=O)C(=CN2)C(=O)OCC)OCC

2.2 Other Identifiers

2.2.1 UNII

534I52PVWH

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Deccox

2. Ethyl-6-(decycloxy)-7-ethoxy-4-hydroxy-3-quinolinecarboxylate

2.3.2 Depositor-Supplied Synonyms

1. 18507-89-6

2. Deccox

3. Decoxy

4. Ethyl 6-(decyloxy)-7-ethoxy-4-hydroxyquinoline-3-carboxylate

5. Hc 1528

6. M&b 15497

7. Nsc 339057

8. Ethyl 6-decoxy-7-ethoxy-4-oxo-1h-quinoline-3-carboxylate

9. Ethyl 6-(decyloxy)-7-ethoxy-4-hydroxy-3-quinolinecarboxylate

10. 3-quinolinecarboxylic Acid, 6-(decyloxy)-7-ethoxy-4-hydroxy-, Ethyl Ester

11. Nsc-339057

12. M And B 15497

13. 534i52pvwh

14. Nsc339057

15. Hc-1528

16. Ncgc00181109-01

17. Decoquinate 100 Microg/ml In Acetonitrile/dmf

18. Dsstox_cid_26851

19. Dsstox_rid_81960

20. Dsstox_gsid_46851

21. 1453100-61-2

22. Decoquinat

23. Decoquinato

24. Decoquinatum

25. Decoquinatum [inn-latin]

26. Decoquinato [inn-spanish]

27. Cas-18507-89-6

28. Ethyl 6-decyloxy-7-ethoxy-4-hydroxy-3-quinolinate

29. Einecs 242-389-1

30. Ethyl 6-decoxy-7-ethoxy-4-hydroxyquinoline-3-carboxylate

31. Unii-534i52pvwh

32. Deccoxtm

33. Decoquinate-[d5]

34. Decoquinate [usan:usp:inn:ban]

35. Deccox (tn)

36. Ethyl 5-decyloxy-7-ethoxy-4-hydroxy-3-chinolincarboxylat

37. Edtadimagnesiumsalt

38. Decoquinate (usp/inn)

39. Decoquinate [mi]

40. Decoquinate [inn]

41. Decoquinate [usan]

42. Decoquinate [mart.]

43. Schembl43853

44. Decoquinate [usp-rs]

45. Chembl416230

46. Decoquinate [green Book]

47. Dtxsid5046851

48. M. And B. 15497

49. Ethyl 6-decyloxy-7-ethoxy-4-hydroxyquinoline-3-carboxylate

50. Ethyl 4-hydroxy-6-(decyloxy)-7-ethoxyquinoline-3-carboxylate

51. Hms2093d11

52. Pharmakon1600-01505356

53. Decoquinate [usp Monograph]

54. Bcp28448

55. Ethyl 6-(n-decyloxy)-7-ethoxy-4-hydroxyquinoline-3-carboxylate

56. Hy-b1036

57. Tox21_112723

58. Mfcd00673686

59. Nsc759109

60. S4145

61. Zinc38139853

62. 6-(decyloxy)-7-ethoxy-4-hydroxy-3-quinolinecarboxylic Acid Ethyl Ester

63. Akos015895953

64. Akos022185844

65. Tox21_112723_1

66. Cs-4555

67. Db11394

68. Nsc-759109

69. Ncgc00181109-03

70. Ncgc00264109-01

71. As-13953

72. Sbi-0206843.p001

73. Db-065512

74. M&b-15497

75. D4192

76. Ft-0657664

77. D03667

78. F21439

79. Ab01563292_01

80. Ab01563292_02

81. Decoquinate, Vetranal(tm), Analytical Standard

82. 507d896

83. A812918

84. Sr-05000001968

85. J-521161

86. Q5249594

87. Sr-05000001968-1

88. Brd-k17641316-001-01-4

89. Ethyl 6-decoxy-7-ethoxy-4-hydroxy-quinoline-3-carboxylate

90. Decoquinate, United States Pharmacopeia (usp) Reference Standard

91. 6-decyloxy-7-ethoxy-4-hydroxy-3-quinolinecarboxylic Acid Ethyl Ester

92. 6-decyloxy-7-ethoxy-4-hydroxyquinoline-3-carboxylic Acid Ethyl Ester

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₂₄H₃₅NO₅
Molecular Weight	417.5 g/mol
XLogP3	6.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	15
Exact Mass	417.25152322 g/mol
Monoisotopic Mass	417.25152322 g/mol
Topological Polar Surface Area	73.9 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	562
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	1