CAS 75128-73-3

Chemistry, 2 End Use API, 3 Related Intermediates

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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

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Bakul Group

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Diacetyl Acyclovir

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CAS Number

75128-73-3

End Use API

Aciclovir

About the Company

The Bakul Group of companies headquartered in Mumbai, India are engaged in the development and manufactur...

The Bakul Group of companies headquartered in Mumbai, India are engaged in the development and manufacture of high-quality Active Pharmaceutical Ingredients (APIs), Intermediates, and Speciality Chemicals. Since our inception in 1975, we have grown to become world leaders in the area of xanthine chemistry. They specialize in manufacturing APIs such as Linagliptin, Pentoxifylline, Theobromine, Doxofylline, Caffeine, Pamabrom, and others.

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Keminntek Laboratories

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Diacetyl acyclovir (DAA)

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CAS Number

75128-73-3

End Use API

Aciclovir

About the Company

Keminntek Laboratories is a Hyderabad (India) based Contract Research Organization in Pharmaceutical sect...

Keminntek Laboratories is a Hyderabad (India) based Contract Research Organization in Pharmaceutical sector in specific Pharmaceutical Intermediates, Speciality Chemicals, Impurities and Active Pharmaceutical Ingredients. Our vision is to build Keminntek Laboratories into a world class leading pharmaceutical service provider based on innovation while keeping health & prosperity in mind. Imperatively, we will continue our business with high standards of ethics in the interest of society and environment. We are committed towards improving people’s health through science and innovation.

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