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Chemistry

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Also known as: 957-68-6, 7-aca, 7-aminocephalosporinic acid, 7-acs, 7beta-aminocephalosporanic acid, (7r)-7-aminocephalosporanic acid
Molecular Formula
C10H12N2O5S
Molecular Weight
272.28  g/mol
InChI Key
HSHGZXNAXBPPDL-HZGVNTEJSA-N
FDA UNII
9XI67897RG

7-Amino Cephalosporanic Acid
1 2D Structure

7-Amino Cephalosporanic Acid

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(6R,7R)-3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
2.1.2 InChI
InChI=1S/C10H12N2O5S/c1-4(13)17-2-5-3-18-9-6(11)8(14)12(9)7(5)10(15)16/h6,9H,2-3,11H2,1H3,(H,15,16)/t6-,9-/m1/s1
2.1.3 InChI Key
HSHGZXNAXBPPDL-HZGVNTEJSA-N
2.1.4 Canonical SMILES
CC(=O)OCC1=C(N2C(C(C2=O)N)SC1)C(=O)O
2.1.5 Isomeric SMILES
CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)O
2.2 Other Identifiers
2.2.1 UNII
9XI67897RG
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 7-aca Cpd

2.3.2 Depositor-Supplied Synonyms

1. 957-68-6

2. 7-aca

3. 7-aminocephalosporinic Acid

4. 7-acs

5. 7beta-aminocephalosporanic Acid

6. (7r)-7-aminocephalosporanic Acid

7. Chebi:2255

8. (6r,7r)-3-(acetoxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid

9. (6r,7r)-3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid

10. (7r)-7-aminocephalosporanate

11. Cephalosporanic Acid, 7-amino

12. (6r,7r)-3-[(acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid

13. 9xi67897rg

14. Dsstox_cid_25342

15. Dsstox_rid_80810

16. Dsstox_gsid_45342

17. 3-(acetoxymethyl)-7-aminocephem-4-carboxylic Acid

18. Mfcd00005177

19. (6r,7r)-3-[(acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid (7-aca)

20. 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid, 3-[(acetyloxy)methyl]-7-amino-8-oxo-, (6r,7r)-

21. Chembl1615585

22. Unii-9xi67897rg

23. Ncgc00016552-01

24. (6r,7r)-3-((acetyloxy)methyl)-7-amino-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid

25. 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid, 3-((acetyloxy)methyl)-7-amino-8-oxo-, (6r,7r)-

26. Cas-957-68-6

27. Prestwick_714

28. Einecs 213-485-0

29. (6r)-3-(acetoxymethyl)-7-ammonio-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

30. Prestwick0_000424

31. Prestwick1_000424

32. Prestwick2_000424

33. Prestwick3_000424

34. Epitope Id:120362

35. 7-aminocephalosporanic-acid

36. Ec 213-485-0

37. 7-amino Cephalosporanic Acid

38. Schembl78638

39. Bspbio_000408

40. Aminocephalosporanic Acid, 7-

41. Spbio_002347

42. Bpbio1_000450

43. 7beta-amino-cephalosporanic Acid

44. Dtxsid9045342

45. 7-aminocephalosporanic Acid,(s)

46. 7-aminocephalosporanic Acid, 98%

47. Hms1569e10

48. Hms2096e10

49. Hms3713e10

50. (7r)-7-amino-cephalosporanic Acid

51. Amy24080

52. Bcp22888

53. Hy-b1434

54. Zinc3861379

55. 7-amino-cephalosporanic Acid

56. Tox21_110490

57. S2530

58. Akos015951379

59. Tox21_110490_1

60. Ccg-220424

61. Cs-4823

62. Smp2_000203

63. 7-aminocephalosporanic Acid [mi]

64. 7.beta.-aminocephalosporanic Acid

65. Ncgc00179570-01

66. Ncgc00179570-03

67. Ncgc00263474-01

68. Ac-24181

69. As-15727

70. Ceftriaxone Sodium Impurity E [ip]

71. (6r,7r)-3-(acetoxymethyl)-7-amino-8-

72. 7-aminocephalosporanic Acid [who-dd]

73. Oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-

74. A-5300

75. C07756

76. 957a686

77. Cefazolin Sodium Impurity H [ep Impurity]

78. Cefoperazone Sodium Impurity E [ep Impurity]

79. Q4642864

80. Brd-k65377893-001-01-7

81. 3-acetoxymethyl-7beta-aminoceph-3-em-4-carboxylic Acid

82. 7beta-amino-3-acetoxymethyl-3-cephem-4-carboxylic Acid

83. 7.beta.-amino-3-acetoxymethylcephemcarboxylic Acid

84. (6r,7r)-3-acetoxymethyl-7-aminoceph-3-em-4-carboxylic Acid

85. 3-acetoxymethyl-7.beta.-aminoceph-3-em-4-carboxylic Acid

86. 3-acetoxymethyl-7beta-amino-3,4-didehydrocepham-4-carboxylic Acid

87. 7-aminocephalosporanic Acid, Antibiotic For Culture Media Use Only

88. 3-acetoxymethylen-7-amino-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid

89. (6r,7r)-3-(acetoxymethyl)-7-amino-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid

90. (6r,7r)-3-(acetyloxymethyl)-7-azanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid

91. 4kr

2.4 Create Date
2005-06-24
3 Chemical and Physical Properties
Molecular Weight 272.28 g/mol
Molecular Formula C10H12N2O5S
XLogP3-4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass272.04669266 g/mol
Monoisotopic Mass272.04669266 g/mol
Topological Polar Surface Area135 Ų
Heavy Atom Count18
Formal Charge0
Complexity461
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

API SUPPLIERS

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Medlab Asia & Asia Health
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Medlab Asia & Asia Health
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DMF Number : 11080

Submission : 1994-09-14

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Medlab Asia & Asia Health
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Medlab Asia & Asia Health
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Medlab Asia & Asia Health
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Medlab Asia & Asia Health
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Olon Spa

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Sandoz Gmbh

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Taiwan Biotech Co Ltd

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Medlab Asia & Asia Health
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Roferm Spa

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Roferm Spa

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Cheil Foods And Chemicals Inc Pharma...

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API Reference Price

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07-Jan-2021
31-Oct-2024
KGS
overview
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Average Price (USD/KGS)

Number of Transactions

Total Quantity (KGS)

Total Value (USD)

Quantity (KGS) & Unit rate (USD/KGS) over time

API Imports and Exports

Importing Country Total Quantity
(KGS)
Average Price
(USD/KGS)
Number of Transactions

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