Sodium Gentisate

Synopsis, Chemistry

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Also known as: 4955-90-2, Sodium 2,5-dihydroxybenzoate, Gentisic acid sodium salt, Gentalpin, Gentasol, Gentidol

Molecular Formula

C₇H₅NaO₄

Molecular Weight

176.10 g/mol

InChI Key

MOIJZWWOFOQFMH-UHFFFAOYSA-M

FDA UNII

DX2PUD5H82

1 2D Structure

Sodium Gentisate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;2,5-dihydroxybenzoate

2.1.2 InChI

InChI=1S/C7H6O4.Na/c8-4-1-2-6(9)5(3-4)7(10)11;/h1-3,8-9H,(H,10,11);/q;+1/p-1

2.1.3 InChI Key

MOIJZWWOFOQFMH-UHFFFAOYSA-M

2.1.4 Canonical SMILES

C1=CC(=C(C=C1O)C(=O)[O-])O.[Na+]

2.2 Other Identifiers

2.2.1 UNII

DX2PUD5H82

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 4955-90-2

2. Sodium 2,5-dihydroxybenzoate

3. Gentisic Acid Sodium Salt

4. Gentalpin

5. Gentasol

6. Gentidol

7. Gentinatre

8. Gentisan

9. Gentisod

10. Legential

11. Nagentis

12. Casate

13. Gabail

14. Nagent

15. Casate Sodium

16. Gensalate Sodium

17. Sodium;2,5-dihydroxybenzoate

18. Benzoic Acid, 2,5-dihydroxy-, Monosodium Salt

19. Sodium Gentisate [inn]

20. 5-hydroxysalicylate Sodium

21. Gentisate Sodium

22. Gentisic Acid Sodium

23. Sodium Gentisate Anhydrous

24. Gentisic Acid, Monosodium Salt

25. 2,5-dihydroxybenzoic Acid Sodium Salt

26. Dx2pud5h82

27. Nsc-8512

28. 2,5-dihydroxybenzoic Acid Sodium

29. Gentasol (van)

30. Natrii Gentisas

31. Gentisato Sodico

32. Gentisato Sodico [dcit]

33. Gentisate De Sodium

34. Natrii Gentisas [inn-latin]

35. Monosodium 2,5-dihydroxybenzoate

36. Gentisate De Sodium [inn-french]

37. Nsc 8512

38. Einecs 225-598-2

39. Resorcyclic Acid, Alpha-, Sodium Salt

40. Unii-dx2pud5h82

41. Natriumgentisat

42. Salicylic Acid, 5-hydroxy-, Sodium Salt

43. Ai3-18005

44. Benzoic Acid, 2,5-dihydroxy-, Sodium Salt

45. Sodium2,5-dihydroxybenzoate

46. Schembl453133

47. Chembl2107562

48. Dtxsid0063656

49. Chebi:189437

50. Sodium Gentisate [who-dd]

51. Amy18474

52. Ac-937

53. Sodium-2,5-dihydroxybenzoate

54. Akos015838930

55. Akos015890000

56. Akos015963333

57. Cs-w017420

58. Gentisic Acid Sodium Salt [mi]

59. 106120-03-0

60. D4893

61. Ft-0626647

62. H11049

63. A827744

64. Benzoic Acid, 2,5-dihydroxy-, Sodium Salt (1:1)

65. W-106020

66. Q27276656

67. 2,5-dihydroxybenzoic Acid Sodium Salt, 5-hydroxysalicylate Sodium

68. Sodium 2,5-dihydroxybenzoic Acid;gentisic Acid Sodium Salt Hydrate

2.4 Create Date

2008-02-05

3 Chemical and Physical Properties

Molecular Formula	C₇H₅NaO₄
Molecular Weight	176.10 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	176.00855292 g/mol
Monoisotopic Mass	176.00855292 g/mol
Topological Polar Surface Area	80.6 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	162
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