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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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1 USDMF

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Chemistry

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Also known as: 555-06-6, Aminobenzoate sodium, 4-aminobenzoic acid sodium salt, Sodium p-aminobenzoate, Sodium aminobenzoate, Antergyl

Molecular Formula

C₇H₆NNaO₂

Molecular Weight

159.12 g/mol

InChI Key

XETSAYZRDCRPJY-UHFFFAOYSA-M

FDA UNII

75UI7QUZ5J

1 2D Structure

Sodium 4-Aminobenzoate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;4-aminobenzoate

2.1.2 InChI

InChI=1S/C7H7NO2.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,8H2,(H,9,10);/q;+1/p-1

2.1.3 InChI Key

XETSAYZRDCRPJY-UHFFFAOYSA-M

2.1.4 Canonical SMILES

C1=CC(=CC=C1C(=O)[O-])N.[Na+]

2.2 Other Identifiers

2.2.1 UNII

75UI7QUZ5J

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 555-06-6

2. Aminobenzoate Sodium

3. 4-aminobenzoic Acid Sodium Salt

4. Sodium P-aminobenzoate

5. Sodium Aminobenzoate

6. Antergyl

7. Benzoic Acid, 4-amino-, Monosodium Salt

8. Sodium;4-aminobenzoate

9. Sodium Para-aminobenzoate

10. Benzoic Acid, P-amino-, Monosodium Salt

11. 4-aminobenzoic Acid Sodium

12. 75ui7quz5j

13. 4-aminobenzoic Acid, Sodium Salt

14. Pabavit

15. Monosodium 4-aminobenzoate

16. Chembl1762658

17. Sodium4-aminobenzoate

18. P-aminobenzoic Acid, Sodium Salt

19. Einecs 209-080-3

20. Unii-75ui7quz5j

21. Ai3-16691

22. Mfcd00064395

23. Benzoic Acid, 4-amino-, Sodium Salt

24. Sodium 4-azanylbenzoate

25. Ec 209-080-3

26. Aminobenzoate Sodium (usp)

27. Schembl587865

28. 4-aminobenzoic Acid Sodium Sal

29. Dtxsid8060296

30. 4-aminobenzoicacidsodiumsalt

31. Benzoic Acid, P-amino-, Sodium Salt

32. Sodium Aminobenzoate [mart.]

33. Aminobenzoate Sodium [usp-rs]

34. Sodium Aminobenzoate [who-dd]

35. Akos003051697

36. Akos015888388

37. Akos015950610

38. Akos024272189

39. 54287-22-8

40. As-57673

41. Aminobenzoate Sodium [usp Impurity]

42. Aminobenzoate Sodium [usp Monograph]

43. Db-052748

44. A0276

45. Ft-0617562

46. Benzoic Acid, 4-amino-, Sodium Salt (1:1)

47. D02907

48. O12079

49. A830682

50. W-105558

51. Q27266411

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₇H₆NNaO₂
Molecular Weight	159.12 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	159.02962272 g/mol
Monoisotopic Mass	159.02962272 g/mol
Topological Polar Surface Area	66.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	132
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	2