Ketanserin Tartrate

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Also known as: 83846-83-7, Ketanserintartrate, 3-(2-(4-(p-fluorobenzoyl)-1-piperidinyl)ethyl)-2,4(1h,3h)-quinazolinedione l-tartrate, Ketanserin (tartrate), 2,3-dihydroxybutanedioic acid;3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1h-quinazoline-2,4-dione, Ketanserin (+)-tartrate salt

Molecular Formula

C₂₆H₂₈FN₃O₉

Molecular Weight

545.5 g/mol

InChI Key

KMTLTEVOQLMYRS-UHFFFAOYSA-N

Ketanserin Tartrate is the tartrate salt form of ketanserin, a selective serotonin receptor antagonist with weak adrenergic receptor blocking properties. Ketanserin is effective in lowering blood pressure in essential hypertension. It also inhibits platelet aggregation. It is well tolerated and is particularly effective in older patients.

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,3-dihydroxybutanedioic acid;3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione

2.1.2 InChI

InChI=1S/C22H22FN3O3.C4H6O6/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29;5-1(3(7)8)2(6)4(9)10/h1-8,16H,9-14H2,(H,24,29);1-2,5-6H,(H,7,8)(H,9,10)

2.1.3 InChI Key

KMTLTEVOQLMYRS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=O.C(C(C(=O)O)O)(C(=O)O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 83846-83-7

2. Ketanserintartrate

3. 3-(2-(4-(p-fluorobenzoyl)-1-piperidinyl)ethyl)-2,4(1h,3h)-quinazolinedione L-tartrate

4. Ketanserin (tartrate)

5. 2,3-dihydroxybutanedioic Acid;3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1h-quinazoline-2,4-dione

6. Ketanserin (+)-tartrate Salt

7. 3-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-2,4[1h,3h]-quinazolinedione Tartrate

8. Smr000058867

9. Sr-01000002994

10. C22h22fn3o3.c4h6o6

11. Ketanserin Tartarate

12. Prestwick0_000392

13. Prestwick1_000392

14. Prestwick2_000392

15. Ketanserin Tartrate- Bio-x

16. Lopac0_001191

17. Mls000069367

18. Mls001333708

19. Schembl362930

20. Spbio_002524

21. Chembl1256709

22. Hms2234g22

23. Hms3263p03

24. Hms3267a11

25. Hms3369o05

26. Hms3414h11

27. Hms3678h09

28. Amy42112

29. Tox21_501191

30. Mfcd11864992

31. Akos024458689

32. Ccg-222495

33. Lp01191

34. Ncgc00016200-02

35. Ncgc00094444-01

36. Ncgc00261876-01

37. 84001-70-7

38. Bk164598

39. Ls-15143

40. Eu-0101191

41. S-006

42. R 41 468

43. Sr-01000002994-2

44. Sr-01000002994-4

45. 3-(2-(4-(4-fluorobenzoyl)piperidin-1-yl)ethyl)quinazoline-2,4(1h,3h)-dione (2r,3r)-2,3-dihydroxysuccinate

2.3 Create Date

2005-06-29

3 Chemical and Physical Properties

Molecular Formula	C₂₆H₂₈FN₃O₉
Molecular Weight	545.5 g/mol
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	8
Exact Mass	545.18095764 g/mol
Monoisotopic Mass	545.18095764 g/mol
Topological Polar Surface Area	185 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	761
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

Ketanserin Tartrate

Ketanserin Tartrate

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