Close
4
pipeline-prospector-insert-v1
X

Overview

Client Email Product
CAS 122188-02-7
PharmaCompass
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
C18H23NO3
Molecular Weight
301.386  g/mol
InChI Key
CRRWJZHQYUTACF-UHFFFAOYSA-N

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
InChI=1S/C18H23NO3/c1-4-12-7-6-8-13-14-9-10-22-18(5-2,11-15(20)21-3)17(14)19-16(12)13/h6-8,19H,4-5,9-11H2,1-3H3
2.1.3 InChI Key
CRRWJZHQYUTACF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCC1=CC=CC2=C1NC3=C2CCOC3(CC)CC(=O)OC
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
2005-03-27
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
Complexity413
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty

Advertise With Us

Advertise With Us