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Chemistry

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Also known as: Aldesulfone sodium, Adesulfone sodium, Diasone, 144-75-2, Novotrone, Diasone sodium

Molecular Formula

C₁₄H₁₄N₂Na₂O₆S₃

Molecular Weight

448.5 g/mol

InChI Key

AZBNFLZFSZDPQF-UHFFFAOYSA-L

FDA UNII

57OWB0Q221

Sulfoxone Sodium is a sodium salt form of sulfoxone, a water-soluble sulfonamide antibiotic used in the treatment of leprosy.

1 2D Structure

Sulfoxone

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

disodium;[4-[4-(sulfinatomethylamino)phenyl]sulfonylanilino]methanesulfinate

2.1.2 InChI

InChI=1S/C14H16N2O6S3.2Na/c17-23(18)9-15-11-1-5-13(6-2-11)25(21,22)14-7-3-12(4-8-14)16-10-24(19)20;;/h1-8,15-16H,9-10H2,(H,17,18)(H,19,20);;/q;2*+1/p-2

2.1.3 InChI Key

AZBNFLZFSZDPQF-UHFFFAOYSA-L

2.1.4 Canonical SMILES

C1=CC(=CC=C1NCS(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)NCS(=O)[O-].[Na+].[Na+]

2.2 Other Identifiers

2.2.1 UNII

57OWB0Q221

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Aldesulfon Sodium

2. Diasone

3. Sulfoxone

4. Sulfoxone, Disodium Salt

2.3.2 Depositor-Supplied Synonyms

1. Aldesulfone Sodium

2. Adesulfone Sodium

3. Diasone

4. 144-75-2

5. Novotrone

6. Diasone Sodium

7. Aldapsone

8. Diamidin

9. Diazon

10. Sodium Sulfoxone

11. Sodium Aldesulphone

12. Aldesulphone Sodium

13. Diasone Sodium Enterab

14. Aldesulfone Sodium [inn]

15. Disodium (sulfonylbis(p-phenyleneimino))dimethanesulfinate

16. 57owb0q221

17. Nsc-27222

18. Aldesulfone Sodium (inn)

19. Disodium Formaldehydesulfoxylate-diaminodiphenylsulfone

20. Methanesulfinic Acid, (sulfonylbis(1,4-phenyleneimino))bis-, Disodium Salt

21. Disodium (sulfonylbis(p-phenylenimino))dimethanesulfinate

22. 4:4'-diaminodiphenylsulfone Disodium Formaldehyde Sulfoxylate

23. Aldesulfone [sodium]

24. Nsc 27222; Novotrone; Sodium Aldesulphone; Sodium Sulfoxone

25. Adesulfone Sodium [inn]

26. Aldesulfona Sodica

27. Aldesulfone Sodique

28. Aldesulfonum Natricum

29. Disodium Diformaldehydesulfoxylate

30. Aldesulfona Sodica [inn-spanish]

31. Aldesulfone Sodique [inn-french]

32. Aldesulfonum Natricum [inn-latin]

33. Ncgc00183864-01

34. Nsc 27222

35. Unii-57owb0q221

36. Ai3-23947

37. [sulfonylbis(p-phenyleneimino)]dimethanesulfinic Acid, Disodium Salt

38. Diasone Sodium (tn)

39. Disodium Formaldehyde Sulfoxylate Diamino Diphenylsulfone

40. [4-[4-(sulfinomethylamino)phenyl]sulfonylanilino]methanesulfinic Acid

41. Aniline, 4,4'-sulfonyldi-, Bis(sodium Formaldehydesulfonylate)

42. Aniline, 4,4'-sulfonyldi-, Bis(sodium Formaldehydesulfoxylate)

43. Sulfoxone Sodium [usp]

44. (sulfonylbis(p-phenyleneimino))dimethanesulfinic Acid Disodium Salt

45. Dsstox_cid_3623

46. Dsstox_rid_77116

47. Dsstox_gsid_23623

48. Schembl155722

49. Sulfoxone Sodium [mi]

50. Chembl1200580

51. Dtxsid9023623

52. Aldesulfone Sodium [mart.]

53. Aldesulfone Sodium [who-dd]

54. Ex-a3985

55. Tox21_113217

56. Akos015913824

57. Methanesulfinic Acid, (sulfonylbis(4,1-phenyleneimino))bis-, Disodium Salt

58. Methanesulfinic Acid, (sulfonylbis(p-phenyleneimino))di-, Disodium Salt

59. Sulfoxone Sodium [orange Book]

60. Cas-144-75-2

61. D02521

62. Q4713785

63. Disodium [sulfonylbis(benzene-4,1-diylimino)]dimethanesulfinate

64. Disodium;[4-[4-(sulfinatomethylamino)phenyl]sulfonylanilino]methanesulfinate

65. Methanesulfinic Acid,[sulfonylbis(4,1-phenyleneimino)]bis-,disodium Salt(9ci)

2.4 Create Date

2005-08-01

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₄N₂Na₂O₆S₃
Molecular Weight	448.5 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	6
Exact Mass	447.98093826 g/mol
Monoisotopic Mass	447.98093826 g/mol
Topological Polar Surface Area	185 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	509
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	3

4 Pharmacology and Biochemistry

4.1 ATC Code

J - Antiinfectives for systemic use

J04 - Antimycobacterials

J04B - Drugs for treatment of lepra

J04BA - Drugs for treatment of lepra

J04BA03 - Aldesulfone sodium

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