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Chemistry

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Also known as: 31637-97-5, Etofibrate [inn], 2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyethyl pyridine-3-carboxylate, Ethofibrate, 23tf67g79m, Etofibrate (inn)

Molecular Formula

C₁₈H₁₈ClNO₅

Molecular Weight

363.8 g/mol

InChI Key

XXRVYAFBUDSLJX-UHFFFAOYSA-N

FDA UNII

23TF67G79M

Etofibrate is an orally-available combination of clofibrate and niacin linked together by an ester bond. In the body clofibrate and niacin separate, acting as a controlled-release formulation.

1 2D Structure

Etofibrate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyethyl pyridine-3-carboxylate

2.1.2 InChI

InChI=1S/C18H18ClNO5/c1-18(2,25-15-7-5-14(19)6-8-15)17(22)24-11-10-23-16(21)13-4-3-9-20-12-13/h3-9,12H,10-11H2,1-2H3

2.1.3 InChI Key

XXRVYAFBUDSLJX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C(=O)OCCOC(=O)C1=CN=CC=C1)OC2=CC=C(C=C2)Cl

2.2 Other Identifiers

2.2.1 UNII

23TF67G79M

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Etofibrate Hydrochloride

2. Lipo-merz

3. Tricerol

2.3.2 Depositor-Supplied Synonyms

1. 31637-97-5

2. Etofibrate [inn]

3. 2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyethyl Pyridine-3-carboxylate

4. Ethofibrate

5. 23tf67g79m

6. Etofibrate (inn)

7. Lipo-merz

8. 2-hydroxyethyl Nicotinate 2-(p-chlorophenoxy)-2-methylpropionate (ester)

9. Etofibrato

10. Etofibratum

11. 2-(2-(4-chlorophenoxy)-2-methylpropanoyloxy)ethyl Nicotinate

12. Etofibratum [inn-latin]

13. Etofibrato [inn-spanish]

14. Einecs 250-743-1

15. Unii-23tf67g79m

16. Etofibrate [mi]

17. Etofibrate [mart.]

18. Schembl3122

19. 3-pyridinecarboxylic Acid, 2-[2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy]ethyl Ester

20. Etofibrate [who-dd]

21. Mls006010106

22. Etofibrate, Analytical Standard

23. Chembl358150

24. Dtxsid80185521

25. Chebi:135535

26. Hms3652n04

27. 2-((2-(4-chlorophenoxy)-2-methylpropanoyl)oxy)ethyl Nicotinate

28. Bcp07572

29. Hy-a0127

30. Zinc2019929

31. Mfcd00865727

32. 2-(p-chlorophenoxy)-2-methylpropionic Acid 2-(nicotinoyloxy)ethyl Ester

33. Akos025311314

34. Ccg-268206

35. Db08983

36. 121ge005

37. Ac-23121

38. As-16847

39. Smr002529563

40. Cs-0017444

41. E1359

42. Ft-0660287

43. S4264

44. Sw219681-1

45. D07187

46. T72280

47. 637e975

48. Q-201101

49. Q4116990

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₁₈ClNO₅
Molecular Weight	363.8 g/mol
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	363.0873504 g/mol
Monoisotopic Mass	363.0873504 g/mol
Topological Polar Surface Area	74.7 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	449
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

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Hypolipidemic Agents

Substances that lower the levels of certain LIPIDS in the BLOOD. They are used to treat HYPERLIPIDEMIAS. (See all compounds classified as Hypolipidemic Agents.)

Anticholesteremic Agents

Substances used to lower plasma cholesterol levels. (See all compounds classified as Anticholesteremic Agents.)

4.2 ATC Code

C - Cardiovascular system

C10 - Lipid modifying agents

C10A - Lipid modifying agents, plain

C10AB - Fibrates

C10AB09 - Etofibrate

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3-Pyridinecarboxylic Acid, 2-[2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy]ethyl Ester

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