Sulfadimethoxine Sodium

Synopsis, Chemistry

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Also known as: 1037-50-9, Sulfadimethoxine sodium salt, Sulfadimethoxine (sodium), Sodium sulfadimethoxine, Di-methox, Sulphadimethoxine (sodium)

Molecular Formula

C₁₂H₁₃N₄NaO₄S

Molecular Weight

332.31 g/mol

InChI Key

DQDZQHMCPDUUPC-UHFFFAOYSA-N

FDA UNII

49DG2B481W

1 2D Structure

Sulfadimethoxine Sodium

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;(4-aminophenyl)sulfonyl-(2,6-dimethoxypyrimidin-4-yl)azanide

2.1.2 InChI

InChI=1S/C12H13N4O4S.Na/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9;/h3-7H,13H2,1-2H3;/q-1;+1

2.1.3 InChI Key

DQDZQHMCPDUUPC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=NC(=NC(=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)N)OC.[Na+]

2.2 Other Identifiers

2.2.1 UNII

49DG2B481W

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1037-50-9

2. Sulfadimethoxine Sodium Salt

3. Sulfadimethoxine (sodium)

4. Sodium Sulfadimethoxine

5. Di-methox

6. Sulphadimethoxine (sodium)

7. Sodium;(4-aminophenyl)sulfonyl-(2,6-dimethoxypyrimidin-4-yl)azanide

8. Sulfadimethoxine Sodium [usp]

9. Chebi:81722

10. 49dg2b481w

11. Benzenesulfonamide, 4-amino-n-(2,6-dimethoxy-4-pyrimidinyl)-, Monosodium Salt

12. Sulfadimethoxine Sodium (usp)

13. Sodium ((4-aminophenyl)sulfonyl)(2,6-dimethoxypyrimidin-4-yl)amide

14. Sulfadimethoxin Natrium

15. Unii-49dg2b481w

16. Bactotril (tn)

17. Einecs 213-859-3

18. Sulfadimethoxydiazine Sodium

19. Chembl2107253

20. Sodium N-(2,6-dimethoxy-4-pyrimidinyl)sulphanilamidate

21. Hy-b0337a

22. Dtxsid50858735

23. Bcp15082

24. 4-amino-n-(2,6-dimethoxypyrimidin-4-yl)-n-sodiobenzenesulfonamide

25. Mfcd00070155

26. S5096

27. Sodium (4-aminophenyl)sulfonyl-(2,6-dimethoxypyrimidin-4-yl)azanide

28. Akos015950808

29. Akos025311068

30. Ccg-267829

31. Sulfadimethoxine Sodium [who-dd]

32. Sulfadimethoxine Sodium Salt [mi]

33. As-73413

34. Db-040482

35. Cs-0014402

36. S0589

37. C18386

38. D08538

39. H12057

40. Sulfadimethoxine Sodium [usp Monograph]

41. A800799

42. W-108840

43. Q27155580

44. N-(2,6-dimethoxy-4-pyrimidinyl)sulfanilamide Sodium Salt

45. N(sup 1)-(2,6-dimethoxy-4-pyrimidinyl)sulfanilamide Monosodium Salt

46. Sodium (4-aminophenylsulfonyl)(2,6-dimethoxypyrimidin-4-yl)amide

47. Sodium 4-{[(2,6-dimethoxypyrimidin-4-yl)azanidyl]sulfonyl}aniline

48. Sodium 4-amino-n-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonimidate

49. 4-amino-n-(2,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide Sodium Salt

50. Benzenesulfonamide, 4-amino-n-(2,6-dimethoxy-4-pyrimidinyl)-, Sodium Salt (1:1)

2.4 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₃N₄NaO₄S
Molecular Weight	332.31 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	332.05552036 g/mol
Monoisotopic Mass	332.05552036 g/mol
Topological Polar Surface Area	114 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	425
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