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Sarpogrelate

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Also known as: 125926-17-2, Sarpogrelate [inn], Sarpogrelate (inn), 4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid, 19p708e787, Unii-19p708e787

Molecular Formula

C₂₄H₃₁NO₆

Molecular Weight

429.5 g/mol

InChI Key

FFYNAVGJSYHHFO-UHFFFAOYSA-N

FDA UNII

19P708E787

Sarpogrelate has been investigated for the treatment of Diabetes Mellitus, Diabetic Nephropathy, Coronary Artery Disease, and Renal Insufficiency, Chronic.

1 2D Structure

Sarpogrelate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid

2.1.2 InChI

InChI=1S/C24H31NO6/c1-25(2)16-21(31-24(28)14-13-23(26)27)17-30-22-10-5-4-8-19(22)12-11-18-7-6-9-20(15-18)29-3/h4-10,15,21H,11-14,16-17H2,1-3H3,(H,26,27)

2.1.3 InChI Key

FFYNAVGJSYHHFO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN(C)CC(COC1=CC=CC=C1CCC2=CC(=CC=C2)OC)OC(=O)CCC(=O)O

2.2 Other Identifiers

2.2.1 UNII

19P708E787

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-(dimethylamino)-1-((2-(3-methoxyphenyl)phenoxy)methyl)ethyl Hydrogensuccinate Hydrochloride

2. Mci 9042

3. Mci-9042

4. Mono-(2-(dimethylamino)-1-((2-(2-(3-methoxyphenyl)ethyl)phenoxy)methyl)ethyl)succinate Hydrochloride

2.3.2 Depositor-Supplied Synonyms

1. 125926-17-2

2. Sarpogrelate [inn]

3. Sarpogrelate (inn)

4. 4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic Acid

5. 19p708e787

6. Unii-19p708e787

7. Ncgc00167489-01

8. Ncgc00167489-03

9. Schembl49197

10. Gtpl210

11. Chembl52939

12. Sarpogrelate [who-dd]

13. Dtxsid7048328

14. Chebi:135697

15. Bcp08179

16. Bdbm50093789

17. Stk631325

18. Akos005563803

19. Db12163

20. Ncgc00167489-02

21. 4-{[1-(dimethylamino)-3-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}propan-2-yl]oxy}-4-oxobutanoic Acid

22. Hy-10563

23. Cs-0002654

24. Ft-0712621

25. Ls-187,118

26. D08508

27. Q44931

28. 159s512

29. L000858

30. Sr-01000883998

31. J-513134

32. Sr-01000883998-1

33. (+-)-2-(dimethylamino)-1-((o-(m-methoxyphenethyl)phenoxy)methyl)ethyl Hydrogen Succinate

34. (- )-2-(dimethylamino)-1-((o-(m-methoxyphenethyl)phenoxy)methyl)ethyl Hydrogen Succinate.

35. 4-(1-(dimethylamino)-3-(2-(3-methoxyphenethyl)phenoxy)propan-2-yloxy)-4-oxobutanoic Acid

36. 4-((1-(dimethylamino)-3-(2-(3-methoxyphenethyl)phenoxy)propan-2-yl)oxy)-4-oxobutanoic Acid

37. 4-(1-(2-(3-methoxyphenethyl)phenoxy)-3-(dimethylamino)propan-2-yloxy)-4-oxobutanoic Acid Sarpogrelate

38. 4-[1-dimethylamino-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic Acid

39. Butanedioic Acid, Mono(2-(dimethylamino)-1-((2-(2-(3-methoxyphenyl)ethyl)phenoxy)methyl)ethyl) Ester

40. Butanedioic Acid,1-[2-(dimethylamino)-1-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]ethyl]ester

41. Succinic Acid Mono-(2-dimethylamino-1-{2-[2-(3-methoxy-phenyl)-ethyl]-phenoxymethyl}-ethyl) Ester; Hydrochloride

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₂₄H₃₁NO₆
Molecular Weight	429.5 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	14
Exact Mass	429.21513771 g/mol
Monoisotopic Mass	429.21513771 g/mol
Topological Polar Surface Area	85.3 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	540
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

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Fibrinolytic Agents

Fibrinolysin or agents that convert plasminogen to FIBRINOLYSIN. (See all compounds classified as Fibrinolytic Agents.)

Serotonin Antagonists

Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or SEROTONIN RECEPTOR AGONISTS. (See all compounds classified as Serotonin Antagonists.)

Platelet Aggregation Inhibitors

Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system. (See all compounds classified as Platelet Aggregation Inhibitors.)