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Bepotastine Besilate

Bepotastine Besilate

Synopsis, Chemistry

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Also known as: 190786-44-8, Bepotastine besylate, Bepreve, Talion, Betotastine besilate, Bepotastine benzenesulfonate

Molecular Formula

C₂₇H₃₁ClN₂O₆S

Molecular Weight

547.1 g/mol

InChI Key

UDGHXQPQKQPSBB-BOXHHOBZSA-N

FDA UNII

6W18MO1QR3

1 2D Structure

Bepotastine Besilate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C21H25ClN2O3.C6H6O3S/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;7-10(8,9)6-4-2-1-3-5-6/h1-2,4,6-9,12,18,21H,3,5,10-11,13-15H2,(H,25,26);1-5H,(H,7,8,9)/t21-;/m0./s1

2.1.3 InChI Key

UDGHXQPQKQPSBB-BOXHHOBZSA-N

2.1.4 Canonical SMILES

C1CN(CCC1OC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3)CCCC(=O)O.C1=CC=C(C=C1)S(=O)(=O)O

2.1.5 Isomeric SMILES

C1CN(CCC1O[C@@H](C2=CC=C(C=C2)Cl)C3=CC=CC=N3)CCCC(=O)O.C1=CC=C(C=C1)S(=O)(=O)O

2.2 Other Identifiers

2.2.1 UNII

6W18MO1QR3

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 190786-44-8

2. Bepotastine Besylate

3. Bepreve

4. Talion

5. Betotastine Besilate

6. Bepotastine Benzenesulfonate

7. Tau-284

8. Bepotastine Besylate [usan]

9. Bepotastine Benzenesulfonate Salt

10. Bepotastine (besilate)

11. 6w18mo1qr3

12. Chebi:31281

13. Tau 284

14. 190786-44-8 (besylate)

15. Bepotastine Besylate (usan)

16. (s)-4-(4-((4-chlorophenyl)(pyridin-2-yl)methoxy)piperidin-1-yl)butanoic Acid Compound With Benzenesulfonic Acid (1:1)

17. 1-piperidinebutanoic Acid, 4-((s)-(4-chlorophenyl)-2-pyridinylmethoxy)-, Benzenesulfonate (1:1)

18. 1-piperidinebutanoic Acid, 4-[(s)-(4-chlorophenyl)-2-pyridinylmethoxy]-, Benzenesulfonate (1:1)

19. Unii-6w18mo1qr3

20. Bepomax

21. Tau-284ds

22. Bepotastine Besitate

23. Bepreve (tn)

24. Bepotastine Beslilate

25. Talion (tn)

26. (+)-(s)-4-(4-((4-chlorophenyl)(2-pyridyl)methoxy)piperidino)butyric Acid Monobenzenesulfonate

27. 4-((4-chlorophenyl)-2-pyridinylmethoxy)- (s)-1-piperidinebutanoic Acid Monobenzenesulfonate

28. Tau284

29. 4-{4-[(s)-(4-chlorophenyl)(pyridin-2-yl)methoxy]piperidin-1-yl}butanoic Acid Benzenesulfonate

30. Bepotastine Besilate (jp17)

31. Schembl1287638

32. Chembl1201759

33. Dtxsid80172577

34. Bepotastine Besilate [jan]

35. Hms3885a05

36. Hy-a0015

37. Bepotastine Besilate [vandf]

38. Bepotastine Besilate [mart.]

39. Mfcd01938491

40. S3037

41. Bepotastine Besilate [who-dd]

42. Akos025401655

43. Ccg-269988

44. Cs-0383

45. Bepotastine Benzenesulphonate Salt

46. 1-piperidinebutanoic Acid, 4-((4-chlorophenyl)-2-pyridinylmethoxy)- (s)-, Monobenzenesulfonate

47. Ac-24015

48. As-17863

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

50. Bepotastine Besilate [orange Book]

51. B5943

52. Sw220161-1

53. Bepotastine Benzenesulfonate Salt [mi]

54. D01654

55. 786b448

56. J-012325

57. Q27114261

58. (+)-4-(4-((s)-(4-chlorophenyl)(pyridin-2-yl)methoxy)piperidin-1-yl)butanoic Acid Monobenzenesulfonate

59. (+)-4-(4-((s)-(4-chlorophenyl)(pyridin-2-yl)methoxy)piperidin-1-yl)butanoic Acid Monobenzenesulphonate

60. (s)-4-[4-[(4-chlorophenyl)(2-pyridyl)-methoxy]piperidino]butanoic Acid Monobenzenesulfonic Acid Salt

61. (s)-4-[4-[(4-chlorophenyl)(2-pyridyl)methoxy]piperidino]butanoic Acid Monobenzenesulfonic Acid Salt

62. 1-piperidinebutanoic Acid, 4-((s)-(4-chlorophenyl)-2-pyridinylmethoxy)-, Benzenesulphonate (1:1)

63. 4-((s)-(4-chlorophenyl)-2-pyridinylmethoxy)-1-piperidinebutanoic Acid Benzenesulfonate Salt

64. 4-((s)-(4-chlorophenyl)-2-pyridinylmethoxy)-1-piperidinebutanoic Acid Benzenesulphonate Salt

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₇H₃₁ClN₂O₆S
Molecular Weight	547.1 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Exact Mass	546.1591356 g/mol
Monoisotopic Mass	546.1591356 g/mol
Topological Polar Surface Area	125 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	632
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	2

4 Drug and Medication Information

4.1 Drug Information

1 of 2
Drug Name	Bepreve
PubMed Health	Bepotastine Besilate (Into the eye)
Drug Classes	Ophthalmologic Agent
Drug Label	BEPREVE (bepotastine besilate ophthalmic solution) 1.5% is a sterile, topically administered drug for ophthalmic use. Each mL of BEPREVE contains 15 mg bepotastine besilate. Bepotastine besilate is designated chemically as (+) -4-[[(S)-p-chloro-alpha...
Active Ingredient	Bepotastine besilate
Dosage Form	Solution/drops
Route	Ophthalmic
Strength	1.5%
Market Status	Prescription
Company	Bausch And Lomb

2 of 2
Drug Name	Bepreve
PubMed Health	Bepotastine Besilate (Into the eye)
Drug Classes	Ophthalmologic Agent
Drug Label	BEPREVE (bepotastine besilate ophthalmic solution) 1.5% is a sterile, topically administered drug for ophthalmic use. Each mL of BEPREVE contains 15 mg bepotastine besilate. Bepotastine besilate is designated chemically as (+) -4-[[(S)-p-chloro-alpha...
Active Ingredient	Bepotastine besilate
Dosage Form	Solution/drops
Route	Ophthalmic
Strength	1.5%
Market Status	Prescription
Company	Bausch And Lomb

5 Pharmacology and Biochemistry

5.1 MeSH Pharmacological Classification

Anti-Allergic Agents

Agents that are used to treat allergic reactions. Most of these drugs act by preventing the release of inflammatory mediators or inhibiting the actions of released mediators on their target cells. (From AMA Drug Evaluations Annual, 1994, p475) (See all compounds classified as Anti-Allergic Agents.)

5.2 FDA Pharmacological Classification

5.2.1 Pharmacological Classes

Histamine-1 Receptor Antagonist [EPC]