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CAS 122188-02-7
CAS 122188-02-7
Also known as: Etodolac methyl ester, 122188-02-7, Methyl 2-(1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetate, Crrwjzhqyutacf-uhfffaoysa-n, 1,8-diethyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indole-1-acetic acid methyl ester, Methyl 2-(1,8-diethyl-4,9-dihydro-3h-pyrano[3,4-b]indol-1-yl)acetate
Molecular Formula
Molecular Weight
301.386  g/mol
InChI Key

1 2D Structure

CAS 122188-02-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetate
2.1.2 InChI
2.1.3 InChI Key
2.1.4 Canonical SMILES
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Etodolac Methyl Ester

2. 122188-02-7

3. Methyl 2-(1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetate

4. Crrwjzhqyutacf-uhfffaoysa-n

5. 1,8-diethyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indole-1-acetic Acid Methyl Ester

6. Methyl 2-(1,8-diethyl-4,9-dihydro-3h-pyrano[3,4-b]indol-1-yl)acetate

7. Q-201100

8. Pyrano[3,4-b]indole-1-acetic Acid, 1,8-diethyl-1,3,4,9-tetrahydro-, Methyl Ester

9. Etodolac Impurity K

10. Ac1lb1qo

11. Acmc-20a66c

12. Schembl6629123

13. Ctk0h4848

14. Anw-58930

15. Ce0097

16. Sbb066177

17. Akos015895577

18. Ac-4237

19. Ac-7752

20. An-8691

21. Va10865

22. Ak-56747

23. An-12156

24. He004495

25. Pl049824

26. Sc-62438

27. Ab0012085

28. Ax8017810

29. Kb-254960

30. Rt-005905

31. Ft-0642978

32. E14500

33. 880e315

34. A804854

35. C-18820

36. I06-1863

37. Methyl 1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]

38. Methyl 1,8-diethyl-1,3,4,9-tetrahydropyrano (3,4-b)-indole-1-acetate

39. Methyl 1,8-diethyl-1,3,4,9-tetrahydropyrano(3,4-b)-indole-1-acetate

40. Methyl 2-(1,8-diethyl-4,9-dihydro-3h-pyrano[3,4-b]indol-1-yl)ethanoate

41. Methyl 2-{1,8-diethyl-1h,3h,4h,9h-pyrano[3,4-b]indol-1-yl}acetate

42. Methyl 2-{1,8-diethyl-3h,4h,9h-pyrano[3,4-b]indol-1-yl}acetate

43. Methyl2-(1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetate

44. 1,8-diethyl-1,3,4,9-tetrahydro-pyrano [3,4-b] Indole-1-acetic Acid Methyl Ester

45. 1,8-diethyl-1,3,4,9-tetrahydropyrano-3,4-$b-indole-1-acetic Acid Methyl Ester

46. 2-(1,8-diethyl-4,9-dihydro-3h-pyrano[3,4-b]indol-1-yl)acetic Acid Methyl Ester

47. Methyl 1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole-1-acetate

48. Methyl 2-[(1rs)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetate (etodolac Methyl Ester)

2.3 Create Date
3 Chemical and Physical Properties
Molecular Weight 301.386 g/mol
Molecular Formula C18H23NO3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass301.168 g/mol
Monoisotopic Mass301.168 g/mol
Topological Polar Surface Area51.3 A^2
Heavy Atom Count22
Formal Charge0
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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