SCHEMBL212198

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CHEMISTRY

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BUILDING BLOCK

1 Suppliers, 1 End Use APIs, 3 Related Intermediates

1 Suppliers
1 End Use APIs
3 Related Intermediates

Chemistry

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Also known as: 132-18-3, Diphenylpyraline hcl, Allerzine, 4-diphenylmethoxy-1-methylpiperidine hydrochloride, Diafen hydrochloride, Histalert

Molecular Formula

C₁₉H₂₄ClNO

Molecular Weight

317.9 g/mol

InChI Key

LPRLDRXGWKXRMQ-UHFFFAOYSA-N

FDA UNII

G9FU7F1E87

1 2D Structure

SCHEMBL212198

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-benzhydryloxy-1-methylpiperidine;hydrochloride

2.1.2 InChI

InChI=1S/C19H23NO.ClH/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18-19H,12-15H2,1H3;1H

2.1.3 InChI Key

LPRLDRXGWKXRMQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1CCC(CC1)OC(C2=CC=CC=C2)C3=CC=CC=C3.Cl

2.2 Other Identifiers

2.2.1 UNII

G9FU7F1E87

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4-diphenylmethoxy-1-methylpiperidine

2. Diphenylpyraline

3. Diphenylpyraline Maleate (2:1)

4. Lergobine

2.3.2 Depositor-Supplied Synonyms

1. 132-18-3

2. Diphenylpyraline Hcl

3. Allerzine

4. 4-diphenylmethoxy-1-methylpiperidine Hydrochloride

5. Diafen Hydrochloride

6. Histalert

7. Diafen

8. Sumadil

9. Belfene Hydrochloride

10. Hispril Hydrochloride

11. Diphenylpyraline (hydrochloride)

12. Diphenpyraline Hydrochloride

13. Piperidine, 4-(diphenylmethoxy)-1-methyl-, Hydrochloride

14. 4-diphenylmethoxy-1-methylpiperidine Hcl

15. Diphenylpyraline Hydrochloride [jan]

16. Nsc-61825

17. 1-methylpiperidyl-4-benzhydrylether Hydrochloride

18. 4-(diphenylmethoxy)-1-methylpiperidine Hydrochloride

19. Mls000069803

20. G9fu7f1e87

21. Piperidine, 4-(diphenylmethoxy)-1-methyl-, Hydrochloride (1:1)

22. 4-benzhydryloxy-1-methylpiperidine;hydrochloride

23. 4-diphenylmethoxy-1-methylpiperidine

24. Lergoban

25. Smr000059141

26. 1-methyl-4-piperidyl Benzhydryl Ether Hydrochloride

27. Dsstox_cid_27752

28. Dsstox_rid_82529

29. Dsstox_gsid_47772

30. 4-(benzhydryloxy)-1-methylpiperidine Hydrochloride

31. Piperidine, 4-diphenylmethoxy-1-methyl-, Hydrochloride

32. Diafen (antihistamine)

33. Aerogastol

34. Anginosan

35. Diphenylpyraline Hydrochloride (jan)

36. Chebi:31508

37. Nsc61825

38. Ncgc00016395-01

39. Cas-132-18-3

40. Einecs 205-049-3

41. Nsc 61825

42. Unii-g9fu7f1e87

43. Sr-01000721836

44. Prestwick_969

45. Hispril (tn)

46. Diafen, Antihistamine

47. Diphenylpyraline Hydrochloride [usp:jan]

48. Opera_id_182

49. Chembl1564

50. 4-benzhydryloxy-1-methyl-piperidine Hydrochloride

51. Mls001148620

52. Mls002222284

53. Schembl212198

54. Spectrum1500258

55. Dtxsid7047772

56. Hms1570m15

57. Hms1920i08

58. Pharmakon1600-01500258

59. Amy23402

60. Hy-b0970

61. Tox21_110419

62. Ccg-40200

63. Mfcd00012835

64. Nsc756730

65. Akos022180771

66. Tox21_110419_1

67. Ac-9856

68. Cs-4455

69. Nsc-756730

70. Ncgc00016395-06

71. Ncgc00094658-01

72. Ncgc00094658-02

73. As-37666

74. Diphenylpyraline Hydrochloride [mi]

75. Db-042095

76. Diphenylpyraline Hydrochloride [vandf]

77. Ft-0625284

78. S5656

79. Sw197055-3

80. Diphenylpyraline Hydrochloride [mart.]

81. Vu0244457-6

82. D01172

83. Diphenylpyraline Hydrochloride [who-dd]

84. 4-(benzhydryloxy)-1-methylpiperidinehydrochloride

85. Diphenylpyraline Hydrochloride [orange Book]

86. J-006136

87. Sr-01000721836-4

88. Q27104196

89. 4-diphenylmethoxy-1-methylpiperidine Hydrochloride, 95%

90. Diphenylpyraline Hydrochloride 1.0 Mg/ml In Methanol (as Free Base)

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₂₄ClNO
Molecular Weight	317.9 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	317.1546421 g/mol
Monoisotopic Mass	317.1546421 g/mol
Topological Polar Surface Area	12.5 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	268
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2