CAS 120709-09-3

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Also known as: 120709-09-3, (6r,7r)-7-amino-8-oxo-3-(1-propenyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 107937-01-9, 7-apra, 4ze15v22rd, (6r,7r)-7-amino-8-oxo-3-((1e)-prop-1-enyl)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid

Molecular Formula

C₁₀H₁₂N₂O₃S

Molecular Weight

240.28 g/mol

InChI Key

ZYLDQHILNOZKIF-DHLUJLSBSA-N

FDA UNII

4ZE15V22RD

1 2D Structure

CAS 120709-09-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(6R,7R)-7-amino-8-oxo-3-[(E)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

2.1.2 InChI

InChI=1S/C10H12N2O3S/c1-2-3-5-4-16-9-6(11)8(13)12(9)7(5)10(14)15/h2-3,6,9H,4,11H2,1H3,(H,14,15)/b3-2+/t6-,9-/m1/s1

2.1.3 InChI Key

ZYLDQHILNOZKIF-DHLUJLSBSA-N

2.1.4 Canonical SMILES

CC=CC1=C(N2C(C(C2=O)N)SC1)C(=O)O

2.1.5 Isomeric SMILES

C/C=C/C1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

4ZE15V22RD

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 120709-09-3

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

3. 107937-01-9

4. 7-apra

5. 4ze15v22rd

6. (6r,7r)-7-amino-8-oxo-3-((1e)-prop-1-enyl)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid

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

8. 7-amino-8-oxo-3-((1e)-prop-1-enyl)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid, (6r,7r)-

9. De(2-amino-2-(4-hydroxyphenyl)acetyl)cefprozil, (e)-

10. 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid, 7-amino-8-oxo-3-(1e)-1-propen-1-yl-, (6r,7r)-

11. 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid, 7-amino-8-oxo-3-(1e)-1-propenyl-, (6r,7r)-

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

13. Cefprozil Impurity F [ep]

14. Unii-4ze15v22rd

15. 7 Apra

16. Cefprozil Monohydrate Impurity F [ep]

17. Cefprozil Ep Impurity D

18. Cefprozil Ep Impurity F

19. (6r,7r)-7-amino-8-oxo-3-(1-propenyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbo

20. Dtxsid20148332

21. Act05294

22. Amy27770

23. Bcp10063

24. Mfcd08458212

25. Zinc21992405

26. Akos015964988

27. Akos025149355

28. Ac-1879

29. 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid, 7-amino-8-oxo-3-(1-propenyl)-, (6r-(3(e),6alpha,7beta))-

30. As-15055

31. Cefprozil Impurity F [ep Impurity]

32. H11004

33. 709a093

34. A892112

35. Cefprozil Monohydrate Impurity F [ep Impurity]

36. Q27260710

37. Cefprozil Related Compound D (e)-isomer [usp Impurity]

38. (6r,7r)-7-amino-8-oxo-3-(1-propenyl)-5-thia-1-azabicyclo [4. 2.0]oct-2--ene-2- Carboxylic Acid

39. (6r,7r)-7-amino-8-oxo-3-(1-propenyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid; Cefprozil Intermediate; Cefprozil Main-ring

40. (6r,7r)-7-amino-8-oxo-3-(prop-1-en-1-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid

41. 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid, 7-amino-8-oxo-3-(1-propenyl)-, (6r-(3(e),6.alpha.,7.beta.))-

42. Cefprozil Usp Related Compound D; (6r,7r)-7-amino-8-oxo-3-[(1z)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₂N₂O₃S
Molecular Weight	240.28 g/mol
XLogP3	-2.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	240.05686342 g/mol
Monoisotopic Mass	240.05686342 g/mol
Topological Polar Surface Area	109 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	416
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1