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Also known as: 125602-71-3, Betotastine, 190786-43-7, (s)-4-(4-((4-chlorophenyl)(pyridin-2-yl)methoxy)piperidin-1-yl)butanoic acid, Tau 284, Hyd2u48ias

Molecular Formula

C₂₁H₂₅ClN₂O₃

Molecular Weight

388.9 g/mol

InChI Key

YWGDOWXRIALTES-NRFANRHFSA-N

FDA UNII

HYD2U48IAS

Bepotastine is a Histamine-1 Receptor Antagonist.

1 2D Structure

Sb17504

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[4-[(S)-(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-yl]butanoic acid

2.1.2 InChI

InChI=1S/C21H25ClN2O3/c22-17-8-6-16(7-9-17)21(19-4-1-2-12-23-19)27-18-10-14-24(15-11-18)13-3-5-20(25)26/h1-2,4,6-9,12,18,21H,3,5,10-11,13-15H2,(H,25,26)/t21-/m0/s1

2.1.3 InChI Key

YWGDOWXRIALTES-NRFANRHFSA-N

2.1.4 Canonical SMILES

C1CN(CCC1OC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3)CCCC(=O)O

2.1.5 Isomeric SMILES

C1CN(CCC1O[C@@H](C2=CC=C(C=C2)Cl)C3=CC=CC=N3)CCCC(=O)O

2.2 Other Identifiers

2.2.1 UNII

HYD2U48IAS

2.3 Synonyms

2.3.1 MeSH Synonyms

1. (s)-4-(4-((4-chlorophenyl)(2-pyridil)methoxy)piperidino)butylic Acid Monobenzenesulfonate

2. Betotastine

3. Betotastine Besilate

4. Tau 284

5. Tau-284

2.3.2 Depositor-Supplied Synonyms

1. 125602-71-3

2. Betotastine

3. 190786-43-7

4. (s)-4-(4-((4-chlorophenyl)(pyridin-2-yl)methoxy)piperidin-1-yl)butanoic Acid

5. Tau 284

6. Hyd2u48ias

7. 4-((4-chlorophenyl)-2-pyridinylmethoxy)-1-piperidinebutanoic Acid

8. 1-piperidinebutanoicacid, 4-[(s)-(4-chlorophenyl)-2-pyridinylmethoxy]-

9. 4-[4-[(s)-(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-yl]butanoic Acid

10. (+)-(s)-4-[4-[1-(4-chlorophenyl)-1-(2-pyridyl)methoxy]piperidin-1-yl]butyric Acid

11. Chebi:71204

12. 1-piperidinebutanoic Acid, 4-[(s)-(4-chlorophenyl)-2-pyridinylmethoxy]-

13. (+)-4-(((s)-p-chloro-alpha-2-pyridylbenzyl)oxy)-1-piperidinebutyric Acid

14. 4-[4-[(s)-(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-ium-1-yl]butanoate

15. (s)-4-[4-[1-(4-chlorophenyl)-1-(2-pyridyl)methoxy]piperidin-1-yl]butyric Acid

16. Bepotastine [inn]

17. Unii-hyd2u48ias

18. Bepotastine [usan:inn]

19. Bepotastina

20. Bepotastinum

21. Bepotastine [mi]

22. Bepotastine (usan/inn)

23. (s)-4-(4-((4-chlorophenyl)(2-pyridil)methoxy)piperidino)butylic Acid

24. Bepotastine [usan]

25. Bepotastine [vandf]

26. Bepotastine [mart.]

27. Schembl29459

28. Bepotastine [who-dd]

29. Gtpl7466

30. Chembl1201758

31. Dtxsid90904947

32. Tqp0323

33. Zinc602128

34. Cs-m1828

35. Cs-m1895

36. Hy-i0021

37. S5940

38. Akos015913983

39. Am84655

40. Ncgc00386356-02

41. Ncgc00386356-05

42. Ac-26366

43. As-72863

44. D09705

45. D72208

46. Ab01565803_02

47. J-519839

48. Q4890915

49. (s)-4-[4-[(4-chlorophenyl)(2-pyridyl)-methoxy]piperidino]butanoic Acid

50. (s)-4-[4-[(4-chlorophenyl)(2-pyridyl)methoxy]piperidino]-butanoic Acid

51. (s)-4-[4-[(4-chlorophenyl)(2-pyridyl)methoxy]piperidino]butanoic Acid

52. 1-piperidinebutanoic Acid, 4-((4-chlorophenyl)-2-pyridinylmethoxy)-

53. 1-piperidinebutyric Acid, (+)-4-(((s)-p-chloro-2-pyridylbenzyl)oxy)-

54. (+)-4-(((s)-p-chloro-.alpha.-2-pyridylbenzyl)oxy)-1-piperidinebutyric Acid

55. (s)-4-(4-((4-chlorophenyl)(pyridin-2-yl)methoxy)piperidin-1-yl)butanoicacid

56. 4-((s)-(4-chlorophenyl)-2-pyridinylmethoxy)-1-piperidinebutanoic Acid

57. 4-{4-[(s)-(4-chlorophenyl)(pyridin-2-yl)methoxy]piperidin-1-yl}butanoic Acid

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₂₅ClN₂O₃
Molecular Weight	388.9 g/mol
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	388.1553704 g/mol
Monoisotopic Mass	388.1553704 g/mol
Topological Polar Surface Area	62.7 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	449
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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 FDA Pharmacological Classification

4.1.1 Active Moiety

BEPOTASTINE

4.1.2 FDA UNII

HYD2U48IAS

4.1.3 Pharmacological Classes

Established Pharmacologic Class [EPC] - Histamine-1 Receptor Antagonist

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