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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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Also known as: 41136-22-5, Falomesin, Celoslin, Alomen, Ceftezole sodium [jan], 3nhz4y117h

Molecular Formula

C₁₃H₁₁N₈NaO₄S₃

Molecular Weight

462.5 g/mol

InChI Key

UGUMHWUOXWFPFH-JHQAJZDGSA-M

FDA UNII

3NHZ4Y117H

Ceftezole Sodium is the sodium salt form of ceftezole, a semi-synthetic first-generation cephalosporin with antibacterial activity.

1 2D Structure

Falomesin

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;(6R,7R)-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

2.1.2 InChI

InChI=1S/C13H12N8O4S3.Na/c22-7(1-20-4-14-18-19-20)16-8-10(23)21-9(12(24)25)6(2-26-11(8)21)3-27-13-17-15-5-28-13;/h4-5,8,11H,1-3H2,(H,16,22)(H,24,25);/q;+1/p-1/t8-,11-;/m1./s1

2.1.3 InChI Key

UGUMHWUOXWFPFH-JHQAJZDGSA-M

2.1.4 Canonical SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CN3C=NN=N3)C(=O)[O-])CSC4=NN=CS4.[Na+]

2.1.5 Isomeric SMILES

C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CN3C=NN=N3)C(=O)[O-])CSC4=NN=CS4.[Na+]

2.2 Other Identifiers

2.2.1 UNII

3NHZ4Y117H

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Ceftezol

2. Ceftezol, Sodium Salt

3. Ceftezole

4. Celoslin

5. Demethylcefazolin

6. Falomesin

2.3.2 Depositor-Supplied Synonyms

1. 41136-22-5

2. Falomesin

3. Celoslin

4. Alomen

5. Ceftezole Sodium [jan]

6. 3nhz4y117h

7. 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid, 8-oxo-7-((1h-tetrazol-1-ylacetyl)amino)-3-((1,3,4-thiadiazol-2-ylthio)methyl)-, Monosodium Salt, (6r-trans)-

8. Ceftezole Sodium (jan)

9. Dsstox_cid_28520

10. Dsstox_rid_82792

11. Dsstox_gsid_48594

12. Sodium (6r,7r)-3-(((1,3,4-thiadiazol-2-yl)thio)methyl)-7-(2-(1h-tetrazol-1-yl)acetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

13. Cas-41136-22-5

14. Ceftezole Sodium Salt

15. Ncgc00182064-02

16. Ncgc00183098-01

17. Unii-3nhz4y117h

18. Ceftezolesodium

19. Falomesin (tn)

20. Celoslin (tn)

21. Schembl1649887

22. Celoslin Sodium;falomesin Sodium

23. Dtxsid1048594

24. Chebi:31382

25. Ceftezole Sodium [mart.]

26. Ceftezole Sodium [who-dd]

27. Ceftezole Sodium Salt [mi]

28. Hy-n7096

29. Tox21_112923

30. Tox21_113140

31. Ccg-269369

32. As-83858

33. Cs-0019767

34. D01517

35. D81767

36. A899671

37. Q27257756

38. 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid, 8-oxo-7-((2-(1h-tetrazol-1-yl)acetyl)amino)-3-((1,3,4-thiadiazol-2-ylthio)methyl)-, Sodium Salt (1:1), (6r,7r)-

39. 8-oxo-7-[(1h-tetrazol-1-ylacetyl)amino]-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid Monosodium Salt

40. Sodium (6r,7r)-3-((1,3,4-thiadiazol-2-ylthio)methyl)-7-(2-(1h-tetrazol-1-yl)acetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

41. Sodium (7r)-7-(2-(1h-tetrazol-1-yl)acetamido)-3-(1,3,4-thiadiazol-2-ylthiomethyl)-3-cephem-4-carboxylate

42. Sodium,(6r,7r)-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

43. Sodium;(6r,7r)-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

2.4 Create Date

2008-02-05

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₁N₈NaO₄S₃
Molecular Weight	462.5 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	7
Exact Mass	461.99630866 g/mol
Monoisotopic Mass	461.99630866 g/mol
Topological Polar Surface Area	238 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	716
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Anti-Bacterial Agents

Substances that inhibit the growth or reproduction of BACTERIA. (See all compounds classified as Anti-Bacterial Agents.)

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