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ACTIVE PHARMA INGREDIENTS

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5 FDF Dossiers, 5 Europe

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Synopsis

ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 924-49-2, 4-amino-3-hydroxybutanoic acid, Gabob, Dl-4-amino-3-hydroxybutyric acid, Gamibetal, 352-21-6

Molecular Formula

C₄H₉NO₃

Molecular Weight

119.12 g/mol

InChI Key

YQGDEPYYFWUPGO-UHFFFAOYSA-N

FDA UNII

1ZHM019FLD

1 2D Structure

4-Amino-3-Hydroxybutyric Acid

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-amino-3-hydroxybutanoic acid

2.1.2 InChI

InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)

2.1.3 InChI Key

YQGDEPYYFWUPGO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C(C(CN)O)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

1ZHM019FLD

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4-amino-3-hydroxybutyric Acid, (+-)-isomer

2. 4-amino-3-hydroxybutyric Acid, (r)-isomer

3. 4-amino-3-hydroxybutyric Acid, (s)-isomer

4. 4-amino-3-hydroxybutyric Acid, (z)-2-butenedioate Salt (1:1), (+-)-isomer

5. 4-amino-3-hydroxybutyric Acid, (z)-2-butenedioate Salt (2:1), (+-)-isomer

6. 4-amino-3-hydroxybutyric Acid, Hydrobromide, Magnesium Salt

7. 4-amino-3-hydroxybutyric Acid, Hydrochloride

8. 4-amino-3-hydroxybutyric Acid, Ion (1-), (+-)-isomer

9. 4-amino-3-hydroxybutyric Acid, Monosodium Salt

10. Gabob

11. Gamma-amino-beta-hydroxybutyric Acid

2.3.2 Depositor-Supplied Synonyms

1. 924-49-2

2. 4-amino-3-hydroxybutanoic Acid

3. Gabob

4. Dl-4-amino-3-hydroxybutyric Acid

5. Gamibetal

6. 352-21-6

7. Gabomade

8. 3-hydroxy-gaba

9. Buksamin

10. Gaboril

11. Gamma-amino-beta-hydroxybutyric Acid

12. Gabimex

13. Gaminal

14. Idramina

15. Bogil

16. Butanoic Acid, 4-amino-3-hydroxy-

17. Buxamine

18. Gabobe

19. 3-hydroxy-4-aminobutyric Acid

20. 3-hydroxy-4-amino-butyric Acid

21. Aminohydroxybutyric Acid

22. Nsc 40244

23. 4-amino-3-hydroxy-butyric Acid

24. Butyric Acid, 4-amino-3-hydroxy-

25. Gamma-amino-beta-hydroxybutyric Acid [jan]

26. 4-amino-3-hydroxybutyrate

27. 1zhm019fld

28. .gamma.-amino-.beta.-hydroxybutyric Acid

29. Chebi:16080

30. Dl-4-amino-3-hydroxybutanoic Acid

31. Nsc-40244

32. Ncgc00094987-01

33. .beta.-hydroxy-.gamma.-aminobutyric Acid

34. Buxamin

35. Beta-oxy-gaba

36. Buxamine (van)

37. D,l-4-amino-3-hydroxybutyric Acid

38. Gamma-amino-beta-hydroxybutyric Acid (jan)

39. Beta-hydroxy-gamma-aminobutyrate

40. Gamma-amino-beta-hydroxybutyrate

41. 4-amino-3-hydroxy-butanoic Acid

42. Beta-hydroxy-alpha-aminobutyric Acid

43. Einecs 206-518-5

44. Einecs 213-106-9

45. (+-)-4-amino-3-hydroxybutyric Acid

46. Unii-1zhm019fld

47. Mfcd00008141

48. (+/-)-4-amino-3-hydroxybutyric Acid

49. .beta.-hydroxy-gaba

50. Spectrum_001276

51. 3-hydroxy-4-amino-butyric Acid (gabob)

52. Spectrum2_001129

53. Spectrum3_001548

54. Spectrum4_000301

55. Spectrum5_001124

56. Dsstox_cid_25877

57. Dsstox_rid_81193

58. Dsstox_gsid_45877

59. Schembl38621

60. Bspbio_002996

61. Kbiogr_000882

62. Kbioss_001756

63. 4-amino-3-hydroxybutanoicacid

64. Chembl93515

65. Divk1c_000116

66. Spectrum1503041

67. Spbio_000997

68. Dtxsid1045877

69. 3-hydroxy-4-amino Butanoic Acid

70. Hms500f18

71. Kbio1_000116

72. Kbio2_001756

73. Kbio2_004324

74. Kbio2_006892

75. Kbio3_002496

76. Yqgdepyyfwupgo-uhfffaoysa-

77. Gamma-amino-3-hydroxybutyric Acid

78. Ninds_000116

79. 4-amino-3-hydroxybutanoic Acid #

80. Hms1922a11

81. Pharmakon1600-01503041

82. Rac-4-amino-3-hydroxybutyric Acid

83. (s)-4-amino-3-hydroxybutyricacid

84. Act03037

85. Albb-023689

86. Hy-b1427

87. Nsc40244

88. Tox21_111375

89. (s)-4-amino-3-hydroxybutyric Acid

90. Ab3028

91. Ccg-40012

92. Nsc758215

93. .beta.-hydroxy-.gamma.-aminobutyrate

94. .gamma.-amino-.beta.-hydroxybutyrate

95. 4-amino-3-hydroxybutyric Acid, 98%

96. Akos015892786

97. Nsc-758215

98. Idi1_000116

99. Ncgc00094987-02

100. Ncgc00094987-03

101. As-44677

102. Cas-924-49-2

103. (.+/-.)-4-amino-3-hydroxybutyric Acid

104. Sbi-0051753.p002

105. Db-048757

106. .gamma.-amino-.beta.-hydroxy-n-butyric Acid

107. 4-amino-3-hydroxybutyric Acid [mi]

108. A0318

109. Cs-0013138

110. Ft-0632015

111. Ft-0636332

112. Ft-0636333

113. Ft-0716832

114. 4-amino-3-hydroxybutyric Acid [inci]

115. 4-amino-3-hydroxybutyric Acid [mart.]

116. C03678

117. D00174

118. 4-amino-3-hydroxybutyric Acid [who-dd]

119. Ab00052302_02

120. Butyric Acid, 4-amino-3-hydroxy-, Dl-

121. A844239

122. Butanoic Acid, 4-amino-3-hydroxy-, (.+/-.)-

123. Sr-01000872771

124. Q5520257

125. Sr-01000872771-1

126. Butanoic Acid, 4-amino-3-hydroxy-, (+/-)-

127. Z2738499813

128. 80297b30-df98-4f62-a800-277359b3bbe8

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₄H₉NO₃
Molecular Weight	119.12 g/mol
XLogP3	-4.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	119.058243149 g/mol
Monoisotopic Mass	119.058243149 g/mol
Topological Polar Surface Area	83.6 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	83.4
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	1