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Roxatidine Acetate Hydrochloride

Roxatidine Acetate Hydrochloride

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Also known as: 93793-83-0, Roxatidine acetate hcl, Altat, Gastralgin, Hoe 760, Tzu-0460

Molecular Formula

C₁₉H₂₉ClN₂O₄

Molecular Weight

384.9 g/mol

InChI Key

FEWCTJHCXOHWNL-UHFFFAOYSA-N

FDA UNII

60426GOR1E

1 2D Structure

Roxatidine Acetate Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[2-oxo-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]ethyl] acetate;hydrochloride

2.1.2 InChI

InChI=1S/C19H28N2O4.ClH/c1-16(22)25-15-19(23)20-9-6-12-24-18-8-5-7-17(13-18)14-21-10-3-2-4-11-21;/h5,7-8,13H,2-4,6,9-12,14-15H2,1H3,(H,20,23);1H

2.1.3 InChI Key

FEWCTJHCXOHWNL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)OCC(=O)NCCCOC1=CC=CC(=C1)CN2CCCCC2.Cl

2.2 Other Identifiers

2.2.1 UNII

60426GOR1E

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Hoe 760

2. Hoe-760

3. N-(3-(3-(n(1)-piperidinylmethyl)phenoxy)propyl)acetoxyacetamide

4. Tzu 0460

5. Tzu-0460

2.3.2 Depositor-Supplied Synonyms

1. 93793-83-0

2. Roxatidine Acetate Hcl

3. Altat

4. Gastralgin

5. Hoe 760

6. Tzu-0460

7. Hoe-760

8. Roxatidine (acetate Hydrochloride)

9. Pifatidine Hydrochloride

10. Nsc-760384

11. Hoe 062 [roxatidine]

12. 60426gor1e

13. 2-acetoxy-n-(3-(m-(1-piperidinylmethyl)phenoxy)propyl)acetamide Hydrochloride

14. 2-acetoxy-n-[3-[3-(1-piperidinomethylphenoxy]propyl]acetamide Hydrochloride

15. Mfcd00941429

16. 98793-83-0

17. Neo H2

18. Dsstox_cid_26670

19. Dsstox_rid_81809

20. Dsstox_gsid_46670

21. Aceroxatidine Hydrochloride

22. 2-oxo-2-((3-(3-(piperidin-1-ylmethyl)phenoxy)propyl)amino)ethyl Acetate Hydrochloride

23. 2-oxo-2-(3-(3-(piperidin-1-ylmethyl)phenoxy)propylamino)ethyl Acetate Hydrochloride

24. Smr000469144

25. Tzu 0460

26. Cas-93793-83-0

27. Ccris 3347

28. Ncgc00167499-01

29. Xarcin

30. Unii-60426gor1e

31. Sr-01000763240

32. Altat (tn)

33. Roxatidine Acetate Hydrochloride [usan:jan]

34. 2-hydroxy-n-(3-(m-(piperidinomethyl)phenoxy)propyl)acetamide Acetate (ester) Hydrochloride

35. Acetamide, 2-(acetyloxy)-n-(3-(3-(1-piperidinylmethyl)phenoxy)propyl)-, Monohydrochloride

36. Acetamide, 2-hydroxy-n-(3-(m-(1-piperidinylmethyl)phenoxy)propyl)-, Acetate, Hydrochloride

37. N-(3-((alpha-piperidino-m-tolyl)oxy)propyl)glycolamide Acetate (ester), Monohydrochloride

38. Mls001401443

39. Mls002153806

40. Schembl667643

41. Chembl2104871

42. Dtxsid2046670

43. Chebi:32107

44. Hy-b0305a

45. Akp-004

46. Amy8936

47. Pharmakon1600-01502334

48. Bcp10517

49. N-(3-(3-(n(1)-piperidinylmethyl)phenoxy)propyl)acetoxyacetamide

50. Tox21_112500

51. Tox21_112954

52. Nsc760384

53. S1880

54. 2-acetoxy-n-(3-(m-(1-piperidinylmethyl)phenoxy)propyl)acetamidehydrochloride

55. Akos015894912

56. Tox21_112500_1

57. Ab07712

58. Ccg-101016

59. Nc00266

60. Nsc 760384

61. [2-oxo-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]ethyl] Acetate;hydrochloride

62. 2-(acetyloxy)-n-[3-[3-(1-piperidinyl-methyl)phenoxy]propyl]- Acetamide Monohydrochloride

63. 2-oxo-2-[[3-[3-(1-piperidylmethyl)phenoxy]propyl]amino]ethyl Acetate Hydrochloride

64. Acetamide, 2-(acetyloxy)-n-(3-(3-(1-piperidinylmethyl)phenoxy)propyl-, Monohydrochloride

65. Ncgc00167499-02

66. Ac-26444

67. Acetamide, 2-hydroxy-n-(3-(m-(piperidinomethyl)phenoxy)propyl)-, Acetate (ester), Hydrochloride

68. As-14306

69. Sy111342

70. Ft-0630983

71. R0178

72. Roxatidine Acetate Hydrochloride [mi]

73. Sw197646-3

74. Roxatidine Acetate Hydrochloride (jp17/usan)

75. Roxatidine Acetate Hydrochloride [jan]

76. C90611

77. D01467

78. Roxatidine Acetate Hydrochloride [usan]

79. 2-oxo-2-(3-(3-(piperidin-1-ylmethyl)phenoxy

80. Roxatidine Acetate Hydrochloride [mart.]

81. Roxatidine Acetate Hydrochloride [who-dd]

82. 793r830

83. A844708

84. Sr-01000763240-4

85. Q27263158

86. 2-acetoxy-n-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]acetamide Hydrochloride

87. 2-oxo-2-((3-(3-(piperidin-1-ylmethyl)phenoxy)propyl)amino)ethylacetatehydrochloride

88. N-(3-((.alpha.-piperidino-m-tolyl)oxy)propyl)glycolamide Acetate Monohydrochloride

89. [2-oxidanylidene-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]ethyl] Ethanoate Hydrochloride

90. Acetic Acid [2-oxo-2-[3-[3-(1-piperidinylmethyl)phenoxy]propylamino]ethyl] Ester Hydrochloride

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₂₉ClN₂O₄
Molecular Weight	384.9 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Exact Mass	384.1815851 g/mol
Monoisotopic Mass	384.1815851 g/mol
Topological Polar Surface Area	67.9 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	410
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

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Histamine H2 Antagonists

Drugs that selectively bind to but do not activate histamine H2 receptors, thereby blocking the actions of histamine. Their clinically most important action is the inhibition of acid secretion in the treatment of gastrointestinal ulcers. Smooth muscle may also be affected. Some drugs in this class have strong effects in the central nervous system, but these actions are not well understood. (See all compounds classified as Histamine H2 Antagonists.)