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Betaine Hydrochloride

Betaine Hydrochloride

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Also known as: 590-46-5, Betaine chloride, Pluchine, Acinorm, Acipepsol, Acidin

Molecular Formula

C₅H₁₂ClNO₂

Molecular Weight

153.61 g/mol

InChI Key

HOPSCVCBEOCPJZ-UHFFFAOYSA-N

FDA UNII

JK8U8K4D6K

A naturally occurring compound that has been of interest for its role in osmoregulation. As a drug, betaine hydrochloride has been used as a source of hydrochloric acid in the treatment of hypochlorhydria. Betaine has also been used in the treatment of liver disorders, for hyperkalemia, for homocystinuria, and for gastrointestinal disturbances. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1341)

1 2D Structure

Betaine Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

carboxymethyl(trimethyl)azanium;chloride

2.1.2 InChI

InChI=1S/C5H11NO2.ClH/c1-6(2,3)4-5(7)8;/h4H2,1-3H3;1H

2.1.3 InChI Key

HOPSCVCBEOCPJZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C[N+](C)(C)CC(=O)O.[Cl-]

2.2 Other Identifiers

2.2.1 UNII

JK8U8K4D6K

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Acidin Pepsin

2. Acidin-pepsin

3. Acidinpepsin

4. Betaine

5. Betaine, Glycine

6. C.b.b.

7. Citrate De Btane Beaufour

8. Citrate De Btane Upsa

9. Cystadane

10. Glycine Betaine

11. Hepastyl

12. Hydrochloride, Betaine

13. Lycine

14. Novobetaine

15. Oxyneurine

16. Scorbo Btane

17. Scorbo-btane

18. Scorbobtane

19. Stea 16

20. Stea-16

21. Stea16

2.3.2 Depositor-Supplied Synonyms

1. 590-46-5

2. Betaine Chloride

3. Pluchine

4. Acinorm

5. Acipepsol

6. Acidin

7. Aciventral Forte

8. Betaine Hcl

9. Lycine Hydrochloride

10. Acidogeno

11. Achylin

12. Acidol

13. Acidine

14. Acidol-pepsin

15. Methanaminium, 1-carboxy-n,n,n-trimethyl-, Chloride

16. (carboxymethyl)trimethylammonium Chloride

17. Glycine Betaine Hydrochloride

18. Glycocollbetaine Hydrochloride

19. Betaine (hydrochloride)

20. Carboxymethyl(trimethyl)azanium;chloride

21. Betainehydrochloride

22. Acidol Hydrochloride

23. Betainum Muriaticum

24. Rubrine C Hydrochloride

25. Nsc-3976

26. Nsc-32191

27. Betaine Hydrochloride [usp]

28. Jk8u8k4d6k

29. Nsc3976

30. Component Of Normacid

31. Betaine, Hydrochloride

32. Ammonium, (carboxymethyl)trimethyl-, Chloride

33. Carboxymethyl-trimethyl-ammonium Chloride

34. 1-carboxy-n,n,n-trimethylmethanaminium, Chloride

35. Glycocoll Betain Hydrochloride

36. Component Of Acidol-pepsin

37. Dsstox_cid_24446

38. Dsstox_rid_80234

39. Betaine Hydrochloride (usp)

40. Dsstox_gsid_44446

41. Muriat

42. Methanaminium,n,n-trimethyl-, Chloride

43. Cas-590-46-5

44. Ccris 3354

45. Clorhidrato De Betaina

46. Glykokollbetain-chlorid

47. Glykokollbetain-chlorid [german]

48. 1-carboxy-n,n-trimethylmethanaminium, Chloride

49. Ncgc00015150-04

50. Ncgc00094983-01

51. Nsc 3976

52. Einecs 209-683-1

53. Nsc 32191

54. Unii-jk8u8k4d6k

55. Pepsacid

56. Achyin

57. Euacid

58. Ai3-18301

59. Sr-01000075714

60. Cystdane (tn)

61. Methanaminium, 1-carboxy-n,n,n-trimethyl-, Chloride (1:1)

62. Mfcd00011903

63. Carboxymethyl-trimethyl-azanium Chloride

64. Carboxymethyl(trimethyl)ammonium Chloride

65. (carboxymethyl)trimethylammonium Hydrochloride

66. Schembl59207

67. 67332-80-3

68. Mls002153187

69. Chembl1201130

70. Dtxsid0044446

71. Betainum Muriaticum [hpus]

72. Hms2234g11

73. Hms3260d05

74. Hms3373g10

75. Pharmakon1600-01503007

76. Hy-n0739

77. Nsc32191

78. Tox21_111373

79. Tox21_302142

80. Tox21_500172

81. Betaine Hydrochloride [vandf]

82. Nsc758207

83. Betaine Hydrochloride [mart.]

84. Akos015892629

85. Betaine Hydrochloride [usp-rs]

86. Betaine Hydrochloride [who-dd]

87. Tox21_111373_1

88. Ccg-221476

89. Lp00172

90. Nsc-758207

91. Ncgc00093655-01

92. Ncgc00255967-01

93. Ncgc00260857-01

94. Ac-34957

95. Smr000326733

96. Betaine Hydrochloride [orange Book]

97. Betaine Hydrochloride [usp Impurity]

98. Betaine Hydrochloride [usp Monograph]

99. Eu-0100172

100. Ft-0622914

101. N1700

102. 2-hydroxy-2-oxoethyl(trimethyl)azanium Chloride

103. A14540

104. B 3501

105. D03103

106. D85123

107. A832132

108. Q-100682

109. Sr-01000075714-1

110. Sr-01000075714-3

111. Q27281552

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₅H₁₂ClNO₂
Molecular Weight	153.61 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	153.0556563 g/mol
Monoisotopic Mass	153.0556563 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	93.1
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

Gastrointestinal Agents

Drugs used for their effects on the gastrointestinal system, as to control gastric acidity, regulate gastrointestinal motility and water flow, and improve digestion. (See all compounds classified as Gastrointestinal Agents.)

Lipotropic Agents

Endogenous factors or drugs that increase the transport and metabolism of LIPIDS including the synthesis of LIPOPROTEINS by the LIVER and their uptake by extrahepatic tissues. (See all compounds classified as Lipotropic Agents.)

4.2 ATC Code

A - Alimentary tract and metabolism

A09 - Digestives, incl. enzymes

A09A - Digestives, incl. enzymes

A09AB - Acid preparations

A09AB02 - Betaine hydrochloride