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2D Structure
Also known as: 1192491-61-4, Avibactam sodium salt, Nxl 104, Nxl-104, Avibactam (sodium), Ave-1330a
Molecular Formula
C7H10N3NaO6S
Molecular Weight
287.23  g/mol
InChI Key
RTCIKUMODPANKX-JBUOLDKXSA-M
FDA UNII
9V824P8TAI

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sodium;[(2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate
2.1.2 InChI
InChI=1S/C7H11N3O6S.Na/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15;/h4-5H,1-3H2,(H2,8,11)(H,13,14,15);/q;+1/p-1/t4-,5+;/m1./s1
2.1.3 InChI Key
RTCIKUMODPANKX-JBUOLDKXSA-M
2.1.4 Canonical SMILES
C1CC(N2CC1N(C2=O)OS(=O)(=O)[O-])C(=O)N.[Na+]
2.1.5 Isomeric SMILES
C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)[O-])C(=O)N.[Na+]
2.2 Other Identifiers
2.2.1 UNII
9V824P8TAI
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Avibactam

2. Nxl 104

3. Nxl-104

4. Nxl104

2.3.2 Depositor-Supplied Synonyms

1. 1192491-61-4

2. Avibactam Sodium Salt

3. Nxl 104

4. Nxl-104

5. Avibactam (sodium)

6. Ave-1330a

7. Avibactam Sodium [usan]

8. Chebi:85982

9. Ave-1330a Sodium

10. C8sm6irw7g

11. 9v824p8tai

12. Sodium (1r,2s,5r)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl Sulfate

13. Sodium (2s,5r)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl Sulfate

14. 396731-20-7

15. Sodium;[(2s,5r)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] Sulfate

16. 1,6-diazabicyclo(3.2.1)octane-2-carboxamide, 7-oxo-6-(sulfooxy)-, Monosodium Salt, (1r,2s,5r)-rel-

17. Sulfuric Acid Mono[(1r,2s,5r)-2-(aminocarbonyl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-6-yl] Ester Sodium Salt

18. Sulfuric Acid, Mono((1r,2s,5r)-2-(aminocarbonyl)-7-oxo-1,6-diazabicyclo(3.2.1)oct-6-yl) Ester, Sodium Salt (1:1)

19. Sulfuric Acid, Mono((1r,2s,5r)-2-(aminocarbonyl)-7-oxo-1,6-diazabicyclo(3.2.1)oct-6-yl) Ester, Sodium Salt (1:1), Rel-

20. Avibactam Sodium [jan]

21. Unii-9v824p8tai

22. Unii-c8sm6irw7g

23. Avibactam Sodium; Nxl-104

24. Chembl2107817

25. Schembl14247700

26. Avibactam Sodium [who-dd]

27. Bdbm159600

28. Dtxsid701027694

29. Avibactam Sodium Salt [mi]

30. Ave-1330

31. Ex-a2293

32. Avibactam Sodium, (+/-)-

33. Bdbm50512951

34. Hy-14879a

35. Mfcd28900719

36. Akos030243377

37. Avibactam Sodium [orange Book]

38. Ccg-267346

39. Avycaz Component Avibactam Sodium

40. Ac-29295

41. As-74970

42. Avibactam Sodium Component Of Avycaz

43. N-9895

44. Nxl 104, Antibiotic For Culture Media Use Only

45. Us9035062, 23

46. A892614

47. Q27158832

48. Sodium(1r,2s,5r)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-ylsulfate

49. (2s,5r)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide Monosodium Salt;avibactam Sodium

50. 790235-32-4

51. Sodium ({[(2s,5r)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl]oxy}sulfonyl)oxidanide

2.4 Create Date
2008-10-08
3 Chemical and Physical Properties
Molecular Weight 287.23 g/mol
Molecular Formula C7H10N3NaO6S
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass287.01880050 g/mol
Monoisotopic Mass287.01880050 g/mol
Topological Polar Surface Area141 Ų
Heavy Atom Count18
Formal Charge0
Complexity462
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

beta-Lactamase Inhibitors

Endogenous substances and drugs that inhibit or block the activity of BETA-LACTAMASES. (See all compounds classified as beta-Lactamase Inhibitors.)