Methyl 2-ethoxy-4-acetamidobenzoate

Chemistry

Chemistry

Also known as: Methyl 4-acetamido-2-ethoxybenzoate, 59-06-3, Benzoic acid, 4-(acetylamino)-2-ethoxy-, methyl ester, Ethyl pabate, Methyl 4-(acetylamino)-2-ethoxybenzoate, Mfcd00075809

Molecular Formula

C₁₂H₁₅NO₄

Molecular Weight

237.25 g/mol

InChI Key

GOVWOKSKFSBNGD-UHFFFAOYSA-N

FDA UNII

F4X3L6068O

An inhibitor of folate metabolism. It is used as a coccidiostat in poultry.

1 2D Structure

Methyl 2-Ethoxy-4-Acetamidobenzoate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 4-acetamido-2-ethoxybenzoate

2.1.2 InChI

InChI=1S/C12H15NO4/c1-4-17-11-7-9(13-8(2)14)5-6-10(11)12(15)16-3/h5-7H,4H2,1-3H3,(H,13,14)

2.1.3 InChI Key

GOVWOKSKFSBNGD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)OC

2.2 Other Identifiers

2.2.1 UNII

F4X3L6068O

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Methyl 4-acetamido-2-ethoxybenzoate

2. 59-06-3

3. Benzoic Acid, 4-(acetylamino)-2-ethoxy-, Methyl Ester

4. Ethyl Pabate

5. Methyl 4-(acetylamino)-2-ethoxybenzoate

6. Mfcd00075809

7. Ethopabat

8. F4x3l6068o

9. Ncgc00160624-01

10. Ethopabate 100 Microg/ml In Acetonitrile

11. Dsstox_cid_26264

12. Dsstox_rid_81491

13. Dsstox_gsid_46264

14. Cas-59-06-3

15. Ethopabate [usp:ban]

16. Amprol Plus (veterinary)

17. Einecs 200-414-3

18. Unii-f4x3l6068o

19. 4-acetamido-2-ethoxybenzoesaeuremethylester

20. Methyl4-acetamido-2-ethoxybenzoate

21. Ethopabate (usp)

22. Methyl 2-ethoxy-4-acetamidobenzoate

23. Ethopabate [mi]

24. Ethopabate [mart.]

25. Ethopabate [usp-rs]

26. Schembl540932

27. Chembl458769

28. Zinc1387

29. Ethopabate [green Book]

30. Dtxsid6046264

31. Chebi:183844

32. Ethopabate [usp Monograph]

33. Amy13532

34. Hy-b2138

35. Tox21 111943

36. Tox21_111943

37. S3707

38. Methyl 4-acetamido-2-ethoxy-benzoate

39. Akos015892662

40. Ethopabate 100 Microg/ml In Methanol

41. Tox21_111943_1

42. Ccg-213430

43. Cs-8028

44. Ncgc00160624-02

45. Ncgc00160624-03

46. Ncgc00160624-04

47. As-11898

48. Sy226309

49. Db-053312

50. Ft-0625739

51. 4-acetylamino-2-ethoxybenzoic Acid Methyl Ester

52. D08916

53. Ethopabate, Vetranal(tm), Analytical Standard

54. Ab01563313_01

55. 075e809

56. 4-acetylamino-2-ethoxy-benzoic Acid, Methyl Ester

57. Sr-01000944203

58. Q-201078

59. Q5404419

60. Sr-01000944203-1

61. Ethopabate, British Pharmacopoeia (bp) Reference Standard

62. Ethopabate, United States Pharmacopeia (usp) Reference Standard

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₅NO₄
Molecular Weight	237.25 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	237.10010796 g/mol
Monoisotopic Mass	237.10010796 g/mol
Topological Polar Surface Area	64.6 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	280
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

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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