CAS 75128-73-3

Chemistry, 2 End Use API, 3 Related Intermediates

Manufacturers/Suppliers

2 Suppliers

2 Suppliers

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

CAS 75128-73-3

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 Formula	C₁₂H₁₅N₅O₅
Molecular Weight	309.28 g/mol
XLogP3	-1.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	309.10731860 g/mol
Monoisotopic Mass	309.10731860 g/mol
Topological Polar Surface Area	124 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	494
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1