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CAS 122188-02-7

Chemistry, 1 End Use API, 8 Related Intermediates

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Also known as: 122188-02-7, Etodolac, methylated, 1,8-diethyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indole-1-acetic acid methyl ester, Methyl 2-(1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetate, Methyl 2-(1,8-diethyl-4,9-dihydro-3h-pyrano[3,4-b]indol-1-yl)acetate, Pyrano[3,4-b]indole-1-acetic acid, 1,8-diethyl-1,3,4,9-tetrahydro-, methyl ester

Molecular Formula

C₁₈H₂₃NO₃

Molecular Weight

301.4 g/mol

InChI Key

CRRWJZHQYUTACF-UHFFFAOYSA-N

FDA UNII

9ZJE4H85SV

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=C2C(=CC=C1)C3=C(N2)C(OCC3)(CC)CC(=O)OC

2.2 Other Identifiers

2.2.1 UNII

9ZJE4H85SV

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 122188-02-7

2. Etodolac, Methylated

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

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

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

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

7. 9zje4h85sv

8. Etodolac Impurity K [ep Impurity]

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

10. Methyl ((1rs)-1,8-diethyl-1,3,4,9-tetrahydropyrano(3,4-b)indol-1-yl)acetate

11. Pyrano(3,4-b)indole-1-acetic Acid, 1,8-diethyl-1,3,4,9-tetrahydro-, Methyl Ester

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

13. Etodolac Impurity K

14. Etodolacmethylester

15. Rac-etodolac Methyl Ester

16. Unii-9zje4h85sv

17. Schembl6629123

18. Dtxsid60881392

19. Mfcd02684434

20. Akos015895577

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

22. Ac-4237

23. Ac-7752

24. Bs-42122

25. Db-015609

26. Ft-0642978

27. Ft-0655516

28. 880e315

29. A804854

30. Q-201100

31. Methyl1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole-1-acetate

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

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

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

35. 1,8-diethyl-1,3,4,9-tetrahydro-pyrano [3,4-b] Indole-1-acetic Acid Methyl Ester

36. 1,8-diethyl-1,3,4,9-tetrahydropyrano-3,4-$b-indole-1-acetic Acid Methyl Ester

37. 2-(1,8-diethyl-4,9-dihydro-3h-pyrano[3,4-b]indol-1-yl)acetic Acid Methyl Ester

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₂₃NO₃
Molecular Weight	301.4 g/mol
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	301.16779360 g/mol
Monoisotopic Mass	301.16779360 g/mol
Topological Polar Surface Area	51.3 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	413
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

41340-36-7

End Use API

Etodolac

About the Company

Innovassynth Technologies (I) Ltd. formerly known as Chemicals Division of Indian Organic Chemicals Ltd. ...

Innovassynth Technologies (I) Ltd. formerly known as Chemicals Division of Indian Organic Chemicals Ltd. came in to existence since 1st August 2002. It is a part of the well-known business group involved in activities like polyester fiber, polymers, pre-forms, and computer software among others. The company is catering to the needs of customers in the area of 'knowledge based R & D services' for the last 5 years, which include: Contract R & D, Custom Synthesis and Contract Manufacture In a very short period the company has established its name as a reliable partner in above area of activities and has joined hands with many prestigious companies in the field. The company has identified NUCLEOSIDES as a niche area and earned reputation as a supplier of various protected Nucleosides and a partner for Process research. The company is involved in business with well-known companies in various fields like pharmaceuticals, perfumes, agro chemicals, and fine and specialty chemicals. With two sites at its disposal, one already active at Khopoli near Mumbai and the other in the development stage at Chennai. It has already set up a cGMP Pilot Plant Facility where 10-15 Kg batch size is possible. It is going for US FDA approval in near future.

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