CAS 99469-99-5

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2 End Use APIs
41 Related Intermediates

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Also known as: 99469-99-5, 3-ethoxy-4-ethoxycarbonyl phenylacetic acid, 2-(3-ethoxy-4-(ethoxycarbonyl)phenyl)acetic acid, 3-ethoxy-4-(ethoxycarbonyl)phenylacetic acid, 4-ethoxycarbonyl-3-ethoxyphenylacetic acid, Repaglinide related compound b

Molecular Formula

C₁₃H₁₆O₅

Molecular Weight

252.26 g/mol

InChI Key

OTGSESBEJUHCES-UHFFFAOYSA-N

FDA UNII

GG6C71LIOD

1 2D Structure

CAS 99469-99-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(3-ethoxy-4-ethoxycarbonylphenyl)acetic acid

2.1.2 InChI

InChI=1S/C13H16O5/c1-3-17-11-7-9(8-12(14)15)5-6-10(11)13(16)18-4-2/h5-7H,3-4,8H2,1-2H3,(H,14,15)

2.1.3 InChI Key

OTGSESBEJUHCES-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC1=C(C=CC(=C1)CC(=O)O)C(=O)OCC

2.2 Other Identifiers

2.2.1 UNII

GG6C71LIOD

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 99469-99-5

2. 3-ethoxy-4-ethoxycarbonyl Phenylacetic Acid

3. 2-(3-ethoxy-4-(ethoxycarbonyl)phenyl)acetic Acid

4. 3-ethoxy-4-(ethoxycarbonyl)phenylacetic Acid

5. 4-ethoxycarbonyl-3-ethoxyphenylacetic Acid

6. Repaglinide Related Compound B

7. Ethyl 4-carboxymethyl-2-ethoxybenzoate

8. 2-(3-ethoxy-4-ethoxycarbonylphenyl)acetic Acid

9. Benzeneacetic Acid, 3-ethoxy-4-(ethoxycarbonyl)-

10. [3-ethoxy-4-(ethoxycarbonyl)phenyl]acetic Acid

11. Mfcd08704233

12. Gg6c71liod

13. (3-ethoxy-4-(ethoxycarbonyl)phenyl)acetic Acid

14. 4-carboxymethyl-2-ethoxybenzoic Acid Ethyl Ester

15. 3-ethoxy-4-(ethoxycarbonyl)benzeneacetic Acid

16. 4-ethoxycaybonyl-3-ethoxyphenyiaceticacid

17. Ethyl 4-(carboxymethyl)-2-ethoxybenzoate

18. 2-[3-ethoxy-4-(ethoxycarbonyl)phenyl]acetic Acid

19. Unii-gg6c71liod

20. Ethyl 2-ethoxy-4-carboxymethylbenzoate

21. Repaglinide Related Compound B [usp]

22. Repaglinide Specified Impurity B [ep]

23. Repaglinide Related Compound B Rs [usp]

24. 4-(ethoxycarbonyl)-3-ethoxyphenylacetic Acid

25. Ec 427-630-2

26. Schembl391346

27. Dtxsid80244066

28. Act00935

29. Bcp22607

30. Stl452955

31. Zinc15021196

32. Akos015919544

33. Ps-7455

34. 112gi005

35. 4-ethoxycabonyl-3-ethoxyphenylacetic Acid

36. Sy018590

37. 3-ethoxy-4-ethoxycarbonyl-phenylacetic Acid

38. 3-ethoxy-4-ethoxycarbonyl Phenyl Acetic Acid

39. 3-ethoxy-4-ethoxycarbonyl-phenyl-acetic Acid

40. Am20090698

41. E0928

42. Ft-0649265

43. Ft-0668097

44. Repaglinide Impurity B [ep Impurity]

45. 3-ethoxy-4-(ethoxycarbonyl)phenyl Acetic Acid

46. A24998

47. H11847

48. Repaglinide Related Compound B [usp-rs]

49. 2-(3-ethoxy-4-(ethoxycarbonyl)phenyl)aceticacid

50. 3-ethoxy-4-(ethoxy Carbonyl)-phenyl Acetic Acid

51. 2-(4-(ethoxycarbonyl)-3-ethoxyphenyl)acetic Acid

52. 4-carboxymethyl-2-ethoxy-benzoic Acid Ethyl Ester

53. 469e995

54. Q-101330

55. 3-ethoxy-4-(ethoxycarbonyl)phenyl Acetic Acid-[d10]

56. Q27279085

57. Repaglinide Related Compound B [usp Impurity]

58. 3-ethoxy-4-ethoxycarbonyl Phenylacetic Acid;4-ehtoxycarbonyl-3-ehtoxyphynylacetic Acid;4-ethoxycarbonyl-3-ethoxyphenylacetic Acid

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₆O₅
Molecular Weight	252.26 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	252.09977361 g/mol
Monoisotopic Mass	252.09977361 g/mol
Topological Polar Surface Area	72.8 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	289
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