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Buclizine Hydrochloride

Buclizine Hydrochloride

Synopsis, Chemistry

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Also known as: 129-74-8, Buclizine hydrochloride, Longifene, Buclizine hcl, Buclina, Softran

Molecular Formula

C₂₈H₃₅Cl₃N₂

Molecular Weight

505.9 g/mol

InChI Key

SDBHDSZKNVDKNU-UHFFFAOYSA-N

FDA UNII

V4OCE982YU

Buclizine Hydrochloride is the hydrochloride salt form of buclizine, a piperazine histamine H1 receptor antagonist with primarily antiemetic and antivertigo activities. Buclizine binds to and blocks the histamine H1 receptor, thereby preventing the symptoms that are caused by histamine activity. Buclizine exerts its anti-emetic effect by binding to and blocking the muscarinic and histamine receptors in the vomiting center of the central nervous system (CNS). This may prevent activation of the chemoreceptor trigger zone (CTZ) and may reduce nausea and vomiting.

1 2D Structure

Buclizine Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[(4-tert-butylphenyl)methyl]-4-[(4-chlorophenyl)-phenylmethyl]piperazine;dihydrochloride

2.1.2 InChI

InChI=1S/C28H33ClN2.2ClH/c1-28(2,3)25-13-9-22(10-14-25)21-30-17-19-31(20-18-30)27(23-7-5-4-6-8-23)24-11-15-26(29)16-12-24;;/h4-16,27H,17-21H2,1-3H3;2*1H

2.1.3 InChI Key

SDBHDSZKNVDKNU-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl.Cl.Cl

2.2 Other Identifiers

2.2.1 UNII

V4OCE982YU

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1-((4-chlorophenyl)phenylmethyl)-4-((4-(1,1-dimethylethyl)phenyl)methyl)piperazine

2. Aphilan

3. Bucladin-s

4. Buclizine

5. Buclizine Hydrochloride

6. Softran

2.3.2 Depositor-Supplied Synonyms

1. 129-74-8

2. Buclizine Hydrochloride

3. Longifene

4. Buclizine Hcl

5. Buclina

6. Softran

7. 1-(4-(tert-butyl)benzyl)-4-((4-chlorophenyl)(phenyl)methyl)piperazine Dihydrochloride

8. Buclizine, Dihydrochloride

9. Bucladin-s

10. Aphilan

11. Buclodin

12. Ucb 4445

13. Aphilan R

14. Bucladin

15. Buclizine Hydrochloride [usan]

16. Vibazine Hydrochloride

17. Ucb-4445

18. Vibazine

19. Histabutyzine Hydrochloride

20. Histabutyzine Dihydrochloride

21. Buclizine (dihydrochloride)

22. Eop5593fph

23. V4oce982yu

24. 58fqd093nu

25. Buclizine Hydrochloride, (+)-

26. Buclizine Hydrochloride, (-)-

27. Chebi:61193

28. 1-(p-chlorobenzhydryl)-4-(p-t-butylbenzyl)diethylenediamine Dihydrochloride

29. 1-(p-tert-butylbenzyl)-4-(p-chloro-alpha-phenylbenzyl)piperazine Dihydrochloride

30. 1-[(4-tert-butylphenyl)methyl]-4-[(4-chlorophenyl)-phenylmethyl]piperazine;dihydrochloride

31. Piperazine, 1-((4-chlorophenyl)phenylmethyl)-4-((4-(1,1-dimethylethyl)phenyl)methyl)-, Dihydrochloride

32. Postafeno

33. A 7668

34. Bucladin S

35. Nsc-25141

36. 1-(4-(tert-butyl)benzyl)-4-((4-chlorophenyl)-(phenyl)methyl)piperazine Dihydrochloride

37. Buclizine Hydrochloride (usan)

38. 1-(p-tert-butylbenzyl)-4-(p-chlorodiphenylmethyl)piperazine Dihydrochloride

39. Buclizine 2hcl

40. 163837-35-2

41. 163837-36-3

42. Piperazine, 1-((4-chlorophenyl)phenylmethyl)-4-((4-(1,1-dimethylethyl)phenyl)methyl)-, Dihydrochloride, (+)-

43. Piperazine, 1-((4-chlorophenyl)phenylmethyl)-4-((4-(1,1-dimethylethyl)phenyl)methyl)-, Dihydrochloride, (-)-

44. Piperazine, 1-((4-chlorophenyl)phenylmethyl)-4-((4-(1,1-dimethylethyl)phenyl)methyl)-, Hydrochloride (1:2)

45. Piperazine, 1-[(4-chlorophenyl)phenylmethyl]-4-[[4-(1,1-dimethylethyl)phenyl]methyl]-, Dihydrochloride

46. Einecs 204-962-4

47. Nsc 25141

48. Unii-58fqd093nu

49. Vibazine (tn)

50. 1-(p-tert-butylbenzyl)-4-(p-chloro-.alpha.-phenylbenzyl)piperazine Dihydrochloride

51. 1-p-chlorobenzhydryl-4-p-(t)-butylbenzylpiperazine Dihydrochloride

52. Unii-eop5593fph

53. Unii-v4oce982yu

54. Dsstox_cid_25091

55. Dsstox_rid_80665

56. Dsstox_gsid_45091

57. Schembl123751

58. Chembl2360580

59. Dtxsid5045091

60. Perlapine, >=98% (hplc)

61. Hy-a0128a

62. Bcp22428

63. Tox21_110023

64. Mfcd00242700

65. S4140

66. Buclizine Dihydrochloride [mi]

67. 5-isopropyl-2-methoxyphenylboronicacid

68. Akos016004771

69. Bcp9000459

70. Buclizine Hydrochloride [mart.]

71. Buclizine Hydrochloride [vandf]

72. Ks-1250

73. Buclizine Hydrochloride [who-dd]

74. Piperazine, 1-(p-tert-butylbenzyl)-4-(p-chloro-alpha-phenylbenzyl)-, Dihydrochloride

75. Ncgc00013315-01

76. Ac-32891

77. Cas-129-74-8

78. Bcp0726000050

79. Buclizine Dihydrochloride, >=98% (hplc)

80. Buclizine Hydrochloride [orange Book]

81. Cs-0019690

82. Ft-0663892

83. D02089

84. 129b748

85. J-005711

86. Q27130875

87. (rs)-1-(4-t-butylbenzyl)-4-(4-chlorobenzhydryl) Piperazine Dihydrochloride

88. 1-(4-(tert-butyl)benzyl)-4-((4-chlorophenyl)(phenyl)methyl)piperazinedihydrochloride

89. 1-(4-tert-butylbenzyl)-4-[(4-chlorophenyl)(phenyl)methyl]piperazine Dihydrochloride

90. 1-(4-tert-butylbenzyl)-4-[(4-chlorophenyl)(phenyl)methyl]piperazinediium Dichloride

91. 7139-55-1

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₂₈H₃₅Cl₃N₂
Molecular Weight	505.9 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	504.186582 g/mol
Monoisotopic Mass	504.186582 g/mol
Topological Polar Surface Area	6.5 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	514
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	3

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Histamine Antagonists

Drugs that bind to but do not activate histamine receptors, thereby blocking the actions of histamine or histamine agonists. Classical antihistaminics block the histamine H1 receptors only. (See all compounds classified as Histamine Antagonists.)