50-86-2

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CHEMISTRY

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BUILDING BLOCK

1 Suppliers, 1 End Use APIs, 5 Related Intermediates

1 Suppliers
1 End Use APIs
5 Related Intermediates

Chemistry

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Also known as: 50-86-2, 4-acetamido-2-hydroxybenzoic acid, 4-(acetylamino)-2-hydroxybenzoic acid, P-acetamidosalicylic acid, N-acetyl-p-aminosalicylic acid, Benzoic acid, 4-(acetylamino)-2-hydroxy-

Molecular Formula

C₉H₉NO₄

Molecular Weight

195.17 g/mol

InChI Key

YBTVSGCNBZPRBD-UHFFFAOYSA-N

FDA UNII

I7C1010RKE

1 2D Structure

50-86-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-acetamido-2-hydroxybenzoic acid

2.1.2 InChI

InChI=1S/C9H9NO4/c1-5(11)10-6-2-3-7(9(13)14)8(12)4-6/h2-4,12H,1H3,(H,10,11)(H,13,14)

2.1.3 InChI Key

YBTVSGCNBZPRBD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)NC1=CC(=C(C=C1)C(=O)O)O

2.2 Other Identifiers

2.2.1 UNII

I7C1010RKE

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 50-86-2

2. 4-acetamido-2-hydroxybenzoic Acid

3. 4-(acetylamino)-2-hydroxybenzoic Acid

4. P-acetamidosalicylic Acid

5. N-acetyl-p-aminosalicylic Acid

6. Benzoic Acid, 4-(acetylamino)-2-hydroxy-

7. N-acetyl-4-aminosalicyclic Acid

8. 4-azetaminosalizylsaeure

9. N-acetyl-pas

10. Acide 4-acetaminosalicylique

11. N-acetyl-4-aminosalicylic Acid

12. 4-acetaminosalicylic Acid

13. Salicylic Acid, 4-acetamido-

14. 4-azetaminosalizylsaeure [german]

15. Einecs 200-069-9

16. Nsc 54182

17. Ws 176

18. Acide 4-acetaminosalicylique [french]

19. Benzoic Acid, 4-acetamido-2-hydroxy-

20. Brn 0395899

21. Unii-i7c1010rke

22. I7c1010rke

23. Nsc-54182

24. 4-14-00-02020 (beilstein Handbook Reference)

25. 4-(acetylamino)salicylic Acid

26. Metoclopramide Impurity H

27. 4-acetamido Salicylic Acid

28. 4-(acetylamino)-2-hydroxybenzoic Acid; Metoclopramide Imp. H (ep); Metoclopramide Hydrochloride Monohydrate Impurity H; Metoclopramide Impurity H; Metoclopramide Impurity H

29. 4-acetamido-2-hydroxy-benzoic Acid

30. Ss-acetylaminosalicylsaure

31. Oprea1_809805

32. Schembl729994

33. P-acetamino Salicylic Methylate

34. 4-acetamido-2-hydroxybenzoicacid

35. Chebi:63816

36. Dtxsid90198167

37. 4-actyamino-2-hydroxobenzoic Acid

38. 2-hydroxy-4-acetamidobenzoic Acid

39. Bcp33941

40. Nsc54182

41. 4-acetylamino-2-hydroxybenzoic Acid

42. Bbl002562

43. Mfcd00020259

44. Stk390182

45. Akos000104756

46. Ab01267

47. 2-hydroxy-4-acetylaminobenzoicacid

48. Vs-01115

49. Metoclopramide Hcl Imp. H (ep): 4-(ac

50. Ls-144206

51. Cs-0009320

52. Ft-0661153

53. En300-130293

54. Metoclopramide Impurity H [ep Impurity]

55. A899733

56. Q27132821

57. 4-acetamidosalicylic Acid;4-acetamido-2-hydroxybenzoic Acid;p-acetamidosalicylic Acid

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₉NO₄
Molecular Weight	195.17 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	86.6
Heavy Atom Count	14
Formal Charge	0
Complexity	241
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