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Chemistry

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Also known as: 135159-51-2, Sarpogrelate hcl, Anplag, Mci-9042, Mci 9042, Sarpogrelate (hydrochloride)

Molecular Formula

C₂₄H₃₂ClNO₆

Molecular Weight

466.0 g/mol

InChI Key

POQBIDFFYCYHOB-UHFFFAOYSA-N

FDA UNII

FQN8N8QP1B

1 2D Structure

Sarpogrelate Hydrochloride

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;hydrochloride

2.1.2 InChI

InChI=1S/C24H31NO6.ClH/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);1H

2.1.3 InChI Key

POQBIDFFYCYHOB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

FQN8N8QP1B

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

5. Sarpogrelate

2.3.2 Depositor-Supplied Synonyms

1. 135159-51-2

2. Sarpogrelate Hcl

3. Anplag

4. Mci-9042

5. Mci 9042

6. Sarpogrelate (hydrochloride)

7. Sarpogrelate Hydrochloride [jan]

8. Sarpogrelatehydrochloride

9. Fqn8n8qp1b

10. C24h32clno6

11. Dsstox_rid_81804

12. Dsstox_gsid_46662

13. Chembl541829

14. 4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic Acid;hydrochloride

15. Butanedioic Acid, Esters, Mono(2-(dimethylamino)-1-((2-(2-(3-methoxyphenyl)ethyl)phenoxy)methyl)ethyl) Ester, Hydrochloride, (+-)-

16. Cas-135159-51-2

17. Dsstox_cid_26662

18. 4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic Acid Hydrochloride

19. Butanedioic Acid 1-[2-(dimethylamino)-1-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]ethyl] Ester Hydrochloride

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

21. Ncgc00167489-01

22. Ncgc00167489-03

23. Unii-fqn8n8qp1b

24. Anplag (tn)

25. Mfcd00887582

26. Schembl120568

27. Dtxsid8046662

28. Chebi:32122

29. Amy8866

30. Sarpogrelate Hydrochloride- Bio-x

31. Sarpogrelate Hydrochloride (jp17)

32. Bcp07360

33. Tox21_112490

34. S3706

35. Akos015889582

36. Tox21_112490_1

37. Ac-1598

38. Ccg-269415

39. H59s512

40. Ks-5244

41. (+/-)-sarpogrelate Hydrochloride

42. Bs164394

43. Hy-10564

44. Sarpogrelate Hydrochloride [who-dd]

45. Ls-187118

46. Sarpogrelate Hydrochloride, >=98% (hplc)

47. Ft-0602637

48. Sarpogrelate Hydrochloride, (+/-)-

49. D01624

50. A806893

51. J-006654

52. Q27278133

53. 4-((1-(dimethylamino)-3-(2-(3-methoxyphenethyl)phenoxy)propan-2-yl)oxy)-4-oxobutanoic Acid Hcl

54. 4-(1-(dimethylamino)-3-(2-(3-methoxyphenethyl)phenoxy)propan-2-yloxy)-4-oxobutanoic Acid Hydrochloride

55. 4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxidanylidene-butanoic Acid Hydrochloride

56. 4-{[1-(dimethylamino)-3-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}propan-2-yl]oxy}-4-oxobutanoic Acid Hydrochloride

57. Butanedioic Acid, 1-(2-(dimethylamino)-1-((2-(2-(3-methoxyphenyl)ethyl)phenoxy)methyl)ethyl) Ester, Hydrochloride (1:1)

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

59. Butanedioic Acid, Mono(2-(dimethylamino)-1-((2-(2-(3-methoxyphenyl)ethyl)phenoxy)methyl)ethyl) Ester, Hydrochloride, (+/-)-

60. Succinic Acid Mono-(1-dimethylaminomethyl-2-(2-[2-(3-methoxyphenyl)ethyl]phenoxy)ethyl) Ester Hydrochloride

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₂₄H₃₂ClNO₆
Molecular Weight	466.0 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	14
Exact Mass	465.1918154 g/mol
Monoisotopic Mass	465.1918154 g/mol
Topological Polar Surface Area	85.3 Å²
Heavy Atom Count	32
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	2

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

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.)

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.)

Fibrinolytic Agents

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

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