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2D Structure
Also known as: 75128-73-3, 9-[(2-acetoxyethoxy)methyl]-n2-acetylguanine, Acyclovir n,o-diacetate, 2-[(2-acetamido-6-oxo-3h-purin-9-yl)methoxy]ethyl acetate, 2-((2-acetamido-6-oxo-1h-purin-9(6h)-yl)methoxy)ethyl acetate, Mfcd00267706
Molecular Formula
C12H15N5O5
Molecular Weight
309.28  g/mol
InChI Key
VBHLKZHSCMQLTI-UHFFFAOYSA-N
FDA UNII
U32280404H

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[(2-acetamido-6-oxo-1H-purin-9-yl)methoxy]ethyl acetate
2.1.2 InChI
InChI=1S/C12H15N5O5/c1-7(18)14-12-15-10-9(11(20)16-12)13-5-17(10)6-21-3-4-22-8(2)19/h5H,3-4,6H2,1-2H3,(H2,14,15,16,18,20)
2.1.3 InChI Key
VBHLKZHSCMQLTI-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(=O)NC1=NC2=C(C(=O)N1)N=CN2COCCOC(=O)C
2.2 Other Identifiers
2.2.1 UNII
U32280404H
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 75128-73-3

2. 9-[(2-acetoxyethoxy)methyl]-n2-acetylguanine

3. Acyclovir N,o-diacetate

4. 2-[(2-acetamido-6-oxo-3h-purin-9-yl)methoxy]ethyl Acetate

5. 2-((2-acetamido-6-oxo-1h-purin-9(6h)-yl)methoxy)ethyl Acetate

6. Mfcd00267706

7. N2-acetyl-9-[(2'-acetoxyethoxy)methyl]guanine

8. 2-[(2-acetamido-6-oxo-1h-purin-9-yl)methoxy]ethyl Acetate

9. U32280404h

10. 2-[(2-acetamido-6-oxo-1h-purin-9(6h)-yl)methoxy]ethyl Acetate

11. 2-{[2-(acetylamino)-6-oxo-1,6-dihydro-9h-purin-9-yl]methoxy}ethyl Acetate

12. 2-[[(2-(acetylamino)-6-oxo-1,6-dihydro-9h-purin-9-yl]-methoxy]ethyl Acetate

13. 9-((2-acetoxyethoxy)methyl)-n2-acetylguanine

14. 2-((2-(acetylamino)-6-oxo-1,6-dihydro-9h-purin-9-yl)methoxy)ethyl Acetate

15. Unii-u32280404h

16. Einecs 278-077-7

17. Aciclovir Ep Impurity G

18. Acyclovir Ep Impurity G

19. Ec 278-077-7

20. Acyclovir Related Compound G

21. Mls000030665

22. N2,o-diacetylacyclovir

23. Schembl7819447

24. Acyclovir-n,o-diacetate-[d4]

25. Chembl1303813

26. Schembl11550890

27. Dtxsid40226085

28. Hms2309o20

29. Bcp26967

30. Zinc1800215

31. Ac-972

32. 2-((2-acetamido-6,9-dihydro-6-oxo-1h-purin-9-yl)methoxy)ethyl Acetate

33. Aciclovir Impurity G [who-ip]

34. Akos000656178

35. Akos037643312

36. Ccg-104096

37. Acetic Acid 2-(2-acetylamino-6-oxo-1,6-dihydro-purin-9-ylmethoxy)-ethyl Ester

38. As-13491

39. Smr000009008

40. Sy110539

41. Aciclovir Impurity G [ep Impurity]

42. Db-055938

43. 9-(2-acetoxyethoxy)methyl-n2 -acetylguanine

44. Cs-0136972

45. Eu-0034978

46. Ft-0641554

47. Acyclovir Related Compound G [usp-rs]

48. D70345

49. 128a733

50. Ag-205/25000980

51. Sr-01000401986

52. Sr-01000401986-1

53. W-104398

54. Q27290610

55. N,o-diacetyl Acyclovir-n9-isomer [usp Impurity]

56. N2-acetyl-9-(2-acetoxyethoxymethyl)guanine (acyclovir Impurity)

57. 2-((2-acetamido-6-oxo-1,6-dihydropurin-9-yl)methoxy)ethyl Acetate;diacetylacyclovir

58. Acetamide, N-(9-((2-(acetyloxy)ethoxy)methyl)-6,9-dihydro-6-oxo-1h-purin-2-yl)-

59. Acyclovir Ep Impurity G; Aciclovir N,o-diacetate; 2-[[2-(acetylamino)-6-oxo-1,6-dihydro-9h-purin-9-yl]methoxy]ethyl Acetate

2.4 Create Date
2019-01-15
3 Chemical and Physical Properties
Molecular Weight 309.28 g/mol
Molecular Formula C12H15N5O5
XLogP3-1.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass309.10731860 g/mol
Monoisotopic Mass309.10731860 g/mol
Topological Polar Surface Area124 Ų
Heavy Atom Count22
Formal Charge0
Complexity494
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1