NCGC00024853-06

Synopsis, Chemistry

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Also known as: 23672-07-3, (s)-(-)-sulpiride, (-)-sulpiride, Levopraid, S-(-)-sulpiride, Levobren

Molecular Formula

C₁₅H₂₃N₃O₄S

Molecular Weight

341.4 g/mol

InChI Key

BGRJTUBHPOOWDU-NSHDSACASA-N

FDA UNII

JTG7R315LK

1 2D Structure

NCGC00024853-06

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-sulfamoylbenzamide

2.1.2 InChI

InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)/t11-/m0/s1

2.1.3 InChI Key

BGRJTUBHPOOWDU-NSHDSACASA-N

2.1.4 Canonical SMILES

CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC

2.1.5 Isomeric SMILES

CCN1CCC[C@H]1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC

2.2 Other Identifiers

2.2.1 UNII

JTG7R315LK

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Levopraid

2. N-(((s)-1-ethyl-2-pyrrolidinyl)methyl)-5-sulfamoyl-o-anisamide

3. Rv-12309

2.3.2 Depositor-Supplied Synonyms

1. 23672-07-3

2. (s)-(-)-sulpiride

3. (-)-sulpiride

4. Levopraid

5. S-(-)-sulpiride

6. Levobren

7. Levopride

8. L-sulpiride

9. (s)-sulpiride

10. Lesuride

11. Levosulpirida

12. Levosulpiridum

13. Levosulpiride [inn]

14. Rv-12309

15. Sulpiride L-form

16. N-{[(2s)-1-ethylpyrrolidin-2-yl]methyl}-2-methoxy-5-sulfamoylbenzamide

17. Sulpiride, (s)-

18. Sulpiride, (-)-

19. (s)-(-)-5-aminosulfonyl-n-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxybenzamide

20. Jtg7r315lk

21. Chebi:64119

22. (-)-n-(((s)-1-ethyl-2-pyrrolidinyl)methyl)-5-sulfamoyl-o-anisamide

23. (s)-(-)-n-((1-ethyl-2-pyrrolidinyl)methyl)-5-sulfamoyl-o-anisamide

24. N-[[(2s)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-sulfamoylbenzamide

25. S-(-)-n-(1-ethyl-2-pyrrolidinomethyl)-2-methoxy-5-sulfamoylebenzamide

26. Levosulpiride (inn)

27. Ncgc00024853-05

28. Levosulpiridum [inn-latin]

29. Dsstox_cid_22583

30. Dsstox_rid_80052

31. Dsstox_gsid_42583

32. Levosulpirida [inn-spanish]

33. Nexipride

34. Smr000466366

35. Cas-23672-07-3

36. (s)-n-((1-ethylpyrrolidin-2-yl)methyl)-2-methoxy-5-sulfamoylbenzamide

37. Sulpiride,(+)

38. Unii-jtg7r315lk

39. C15h23n3o4s

40. Levogastrol

41. Sulpiride-l

42. Sulpiride-s

43. Benzamide, 5-(aminosulfonyl)-n-(((2s)-1-ethyl-2-pyrrolidinyl)methyl)-2-methoxy-

44. Benzamide, 5-(aminosulfonyl)-n-[[(2s)-1-ethyl-2-pyrrolidinyl]methyl]-2-methoxy-

45. Levopraid (tn)

46. Cas-15676-16-1

47. Mfcd00055220

48. Tocris-0895

49. Sulpiride [l-(-)]

50. Biomol-nt_000030

51. (s)-5-aminosulfonyl-n-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxybenzamide

52. Levosulpiride (levogastrol)

53. Lopac0_001089

54. Schembl70112

55. Gtpl958

56. Mls000759490

57. Mls001424014

58. Levosulpiride [mart.]

59. Levosulpiride [who-dd]

60. Sulpiride L-form [mi]

61. Bpbio1_001221

62. Chembl267044

63. (s)-n-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide

64. Dtxsid0042583

65. Bdbm81774

66. Zinc57008

67. Hms2051a08

68. Hms2089e04

69. Hms2232p10

70. Hms3263i20

71. Hms3266p14

72. Hms3411d20

73. Hms3675d20

74. Hms3884h07

75. Hy-b1059

76. Tox21_110933

77. Tox21_501089

78. Pdsp1_000516

79. Pdsp1_000620

80. Pdsp1_001649

81. Pdsp2_000514

82. Pdsp2_000616

83. S2104

84. Akos007930553

85. Akos015897363

86. Tox21_110933_1

87. Ac-6821

88. Bcp9000853

89. Ccg-100847

90. Cs-4581

91. Ks-5103

92. Lp01089

93. Nc00097

94. Sdccgsbi-0051059.p002

95. Benzamide, 5-(aminosulfonyl)-n-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxy-, (s)-

96. Benzamide, N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxy-5-sulfamoyl-, S-(-)-

97. Ncgc00015966-10

98. Ncgc00016718-01

99. Ncgc00024853-01

100. Ncgc00024853-02

101. Ncgc00024853-03

102. Ncgc00024853-04

103. Ncgc00024853-06

104. Ncgc00024853-09

105. Ncgc00024853-11

106. Ncgc00261774-01

107. Bl166176

108. Bcp0726000072

109. Cas_15676-16-1

110. (s)-(-)-sulpiride, >=98% (titration)

111. Eu-0101089

112. I0821

113. Sw197477-2

114. D07312

115. H11356

116. S 7771

117. Ab00639965-06

118. Ab00639965-08

119. Ab00639965_09

120. 672l073

121. A816834

122. Sr-01000076136

123. Sr-01000597436

124. J-015181

125. Q1452256

126. Sr-01000076136-2

127. Sr-01000597436-1

128. Brd-k51671335-001-01-5

129. Brd-k51671335-001-04-9

130. (s)-(-)-sulpiride, Vetranal(tm), Analytical Standard

131. N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxy-2-sulfamoyl-benzamide

132. (-)-5-aminosulfonyl-n-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxybenzamide

133. O-anisamide, N-((1-ethyl-2-pyrrolidinyl)methyl)-5-sulfamoyl-, (s)-(-)-

134. 5-ht6 Serotonin Receptor From Rat, Recombinant, Expressed In Hek 293 Cells, Membrane Suspension

2.4 Create Date

2005-07-07

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₂₃N₃O₄S
Molecular Weight	341.4 g/mol
XLogP3	0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	341.14092740 g/mol
Monoisotopic Mass	341.14092740 g/mol
Topological Polar Surface Area	110 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	505
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1