Cefmetazole Sodium

Synopsis, Chemistry

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Also known as: 56796-39-5, Zefazone, Cefmetazole sodium salt, Cefmetazon, Cmz sodium, Cs 1170 sodium

Molecular Formula

C₁₅H₁₆N₇NaO₅S₃

Molecular Weight

493.5 g/mol

InChI Key

BITQGIOJQWZUPL-PBCQUBLHSA-M

FDA UNII

37Y9VR4W7A

A semisynthetic cephamycin antibiotic with a broad spectrum of activity against both gram-positive and gram-negative microorganisms. It has a high rate of efficacy in many types of infection and to date no severe side effects have been noted.

1 2D Structure

Cefmetazole Sodium

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;(6R,7S)-7-[[2-(cyanomethylsulfanyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

2.1.2 InChI

InChI=1S/C15H17N7O5S3.Na/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25;/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25);/q;+1/p-1/t13-,15+;/m1./s1

2.1.3 InChI Key

BITQGIOJQWZUPL-PBCQUBLHSA-M

2.1.4 Canonical SMILES

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)CSCC#N)OC)SC2)C(=O)[O-].[Na+]

2.1.5 Isomeric SMILES

CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)CSCC#N)OC)SC2)C(=O)[O-].[Na+]

2.2 Other Identifiers

2.2.1 UNII

37Y9VR4W7A

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Cefmetazole

2. Cefmetazole Monosodium Salt

3. Cefmetazon

4. Cs 1170

5. Cs-1170

6. Cs1170

7. Monosodium Salt, Cefmetazole

8. Salt, Cefmetazole Monosodium

9. Sodium, Cefmetazole

10. U 72791a

11. U-72791a

12. U72791a

13. Zefazone

2.3.2 Depositor-Supplied Synonyms

1. 56796-39-5

2. Zefazone

3. Cefmetazole Sodium Salt

4. Cefmetazon

5. Cmz Sodium

6. Cs 1170 Sodium

7. Skf 83088 Sodium

8. Cefmetazole (sodium)

9. Cefmetazone

10. Chebi:3490

11. Metafar

12. U-72791a

13. 37y9vr4w7a

14. Sodium Cefmetazole

15. Nsc-758171

16. Sodium (6r,7s)-7-(2-((cyanomethyl)thio)acetamido)-7-methoxy-3-(((1-methyl-1h-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate

17. Dsstox_cid_25590

18. Dsstox_rid_80985

19. Dsstox_gsid_45590

20. Cmz

21. Sodium;(6r,7s)-7-[[2-(cyanomethylsulfanyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

22. Zefazone In Plastic Container

23. U 72791a

24. Unii-37y9vr4w7a

25. Prestwick_21

26. Ncgc00017120-01

27. Zefazone (tn)

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

29. Cefmetazole Sodium [usan:usp:jan]

30. Cas-56796-39-5

31. Mfcd00214260

32. Epitope Id:116656

33. Mls000028660

34. Schembl193751

35. Chembl1201118

36. Dtxsid5045590

37. Cefmetazole Sodium (jp17/usp)

38. Cefmetazole Sodium [usan]

39. Cefmetazole Sodium [vandf]

40. Hms1570k21

41. Hms2097k21

42. Hms2230g19

43. Hms3260f14

44. Hms3714k21

45. Cefmetazole Sodium [mart.]

46. Bcp11979

47. Cefmetazole Sodium [who-dd]

48. Hy-b1257

49. Tox21_110788

50. Tox21_500266

51. Cefmetazole Sodium Salt [mi]

52. Akos025392167

53. Tox21_110788_1

54. Ccg-220700

55. Ccg-221570

56. Cs-4966

57. Ks-1415

58. Lp00266

59. Nsc 758171

60. Cefmetazole Sodium [orange Book]

61. Ncgc00023016-07

62. Ncgc00093724-01

63. Ncgc00260951-01

64. 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid, 7-((((cyanomethyl)thio)acetyl)amino)-7-methoxy-3-(((1-methyl-1h-tetrazol-5-yl)thio)methyl)-8-oxo-, Monosodium Salt, (6r-cis)-

65. 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid, 7-((((cyanomethyl)thio)acetyl)amino)-7-methoxy-3-(((1-methyl-1h-tetrazol-5-yl)thio)methyl)-8-oxo-, Sodium Salt, (6r-cis)-

66. Cefmetazole Sodium [usp Monograph]

67. Smr000058923

68. Sodium (6r,7s)-7-(2-(cyanomethylthio)acetamido)-7-methoxy-3-((1-methyl-1h-tetrazol-5-ylthio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

69. Sodium (6r,7s)-7-[[2-(cyanomethylsulfanyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

70. Cs-1170; Skf-83088

71. Eu-0100266

72. C 6048

73. C-2472

74. C08104

75. C75664

76. D00911

77. A831179

78. Q27106105

79. Cefmetazole Sodium Salt, Antibiotic For Culture Media Use Only

80. 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid, 7-((((cyanomethyl)thio)acetyl)amino)-7-methoxy-3-(((1-methyl-1h-tetrazol-5-yl)thio)methyl)-8-oxo-, Monosodium Salt, (6r-cis)

81. Sodium (6r,7s)-7-[[2-(cyanomethylsulfanyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanyl

82. Sodium 6beta-{[(cyanomethyl)sulfanyl]acetamido}-6alpha-methoxy-3-{[(1-methyl-1h-tetrazol-5-yl)sulfanyl]methyl}ceph-3-em-4-carboxylate

2.4 Create Date

2008-02-05

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₆N₇NaO₅S₃
Molecular Weight	493.5 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	9
Exact Mass	493.02727444 g/mol
Monoisotopic Mass	493.02727444 g/mol
Topological Polar Surface Area	242 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	824
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