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2D Structure
Also known as: 66104-23-2, Permax, Pergolide methanesulfonate, Pergolide mesylate salt, Pergolide mesilate, Pergolide (mesylate)
Molecular Formula
C20H30N2O3S2
Molecular Weight
410.6  g/mol
InChI Key
UWCVGPLTGZWHGS-ZORIOUSZSA-N
FDA UNII
55B9HQY616

A long-acting dopamine agonist which has been used to treat PARKINSON DISEASE and HYPERPROLACTINEMIA but withdrawn from some markets due to potential for HEART VALVE DISEASES.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(6aR,9R,10aR)-9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline;methanesulfonic acid
2.1.2 InChI
InChI=1S/C19H26N2S.CH4O3S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21;1-5(2,3)4/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3;1H3,(H,2,3,4)/t13-,16-,18-;/m1./s1
2.1.3 InChI Key
UWCVGPLTGZWHGS-ZORIOUSZSA-N
2.1.4 Canonical SMILES
CCCN1CC(CC2C1CC3=CNC4=CC=CC2=C34)CSC.CS(=O)(=O)O
2.1.5 Isomeric SMILES
CCCN1C[C@@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CSC.CS(=O)(=O)O
2.2 Other Identifiers
2.2.1 UNII
55B9HQY616
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Celance

2. Ly-127,809

3. Ly-127809

4. Ly127,809

5. Ly127809

6. Mesylate, Pergolide

7. Parkotil

8. Pergolide

9. Permax

10. Pharken

2.3.2 Depositor-Supplied Synonyms

1. 66104-23-2

2. Permax

3. Pergolide Methanesulfonate

4. Pergolide Mesylate Salt

5. Pergolide Mesilate

6. Pergolide (mesylate)

7. Ly127809

8. Pergolidemesylate

9. Ly-127809

10. Nsc-319773

11. Nsc-758442

12. Ly 127809

13. Mls000069837

14. Chebi:8021

15. 55b9hqy616

16. Mpe

17. Cpd000058504

18. Smr000058504

19. Pergolide Mesilate (jan)

20. Permax (tn)

21. Dsstox_cid_20583

22. Dsstox_rid_77029

23. Dsstox_gsid_40583

24. Pergolide Mesilate [jan]

25. Celance

26. Parkotil

27. Pharken

28. Chembl1275

29. Pergolide Mesylate [usan]

30. Sr-01000075395

31. Ncgc00017366-04

32. Nopar

33. Unii-55b9hqy616

34. (8b)-8-[(methylsulfanyl)methyl]-6-propylergoline Methanesulfonate

35. Sr-01000721840

36. Pergolide Mesylate [usan:usp]

37. (6ar,9r,10ar)-9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4h-indolo[4,3-fg]quinoline;methanesulfonic Acid

38. Prestwick_652

39. Cas-66104-23-2

40. Pergolide Monomesylate

41. Opera_id_186

42. Pergolide Mehanesulfonate

43. 8-beta-((methylthio)methyl)-6-propylergoline Methanesulfonate

44. 8beta-((methylthio)methyl)-6-propylergoline Monomethanesulfonate

45. 8-beta-((methylthio)methyl)-6-propylergoline Monomethane Sulfonate

46. Pergolide Mesylate (usp)

47. Pergolide Monomethanesulfonate

48. Schembl26920

49. Mls001148155

50. Mls001424320

51. Mls002222236

52. Spectrum1503269

53. Dtxsid6040583

54. Hms501g04

55. Ergoline, Methanesulfonate (1:1)

56. Hms1568l12

57. Hms1922o13

58. Hms2052h09

59. Hms2093c05

60. Hms2095l12

61. Hms2231f08

62. Hms3263e09

63. Hms3712l12

64. Hms3885k16

65. Pergolide Mesylate [vandf]

66. Pharmakon1600-01503269

67. Pergolide Mesilate [mart.]

68. Ex-a1334

69. Ly-141-b

70. Pergolide Mesilate [who-dd]

71. Pergolide Mesylate [usp-rs]

72. Tox21_110820

73. Tox21_500984

74. Ccg-39478

75. Hy-13720a

76. Nsc319773

77. Nsc758442

78. S4000

79. Akos015896681

80. Ergoline, 8-((methylthio)methyl)-6-propyl-, Monomethanesulfonate, (8beta)-

81. Ergoline, 8-beta-((methylthio)methyl)-6-propyl-, Methanesulfonate (1:1)

82. Tox21_110820_1

83. Ac-6874

84. Lp00984

85. Nc00428

86. Nsc 319773

87. Nsc 758442

88. Pergolide Mesylate [green Book]

89. Pergolide Methanesulfonate [mi]

90. Pergolide Mesylate [orange Book]

91. Ncgc00017366-08

92. Ncgc00094284-01

93. Ncgc00094284-02

94. Ncgc00094284-03

95. Ncgc00261669-01

96. Pergolide Mesilate [ep Monograph]

97. Pergolide Mesylate Salt, >=98%, Solid

98. As-76940

99. Pergolide Mesylate [usp Monograph]

100. Ergoline, (8.beta.)-, Monomethanesulfonate

101. Eu-0100984

102. D00502

103. D95035

104. P 8828

105. 104p232

106. Q-201548

107. Sr-01000075395-1

108. Sr-01000075395-3

109. Sr-01000721840-3

110. Q27107641

111. 8-[(methylthio)methyl]-6-propylergoline Methanesulfonate

112. (8beta)-8-[(methylsulfanyl)methyl]-6-propylergoline Methanesulfonate

113. 8-.beta.-[(methylthio)methyl]-6-propylergoline Methanesulfonate

114. Pergolide Mesilate, European Pharmacopoeia (ep) Reference Standard

115. (8beta)-8-[(methylsulfanyl)methyl]-6-propylergolin-6-ium Methanesulfonate

116. 8.beta.-((methylthio)methyl)-6-propylergoline Monomethanesulfonate

117. 8.beta.-((methylthio)methyl)-6-propylergoline Monomethanesulphonate

118. Pergolide Mesylate, United States Pharmacopeia (usp) Reference Standard

119. Ergoline, 8-((methylthio)methyl)-6-propyl-, Monomethanesulfonate, (8.beta.)-

120. Ergoline, 8-((methylthio)methyl)-6-propyl-, Monomethanesulphonate, (8.beta.)-

121. (6ar,9r,10ar)-9-((methylthio)methyl)-7-propyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline Methanesulfonate

122. (6ar,9r,10ar)-9-(methylthiomethyl)-7-propyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline Methanesulfonate

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 410.6 g/mol
Molecular Formula C20H30N2O3S2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass410.16978517 g/mol
Monoisotopic Mass410.16978517 g/mol
Topological Polar Surface Area107 Ų
Heavy Atom Count27
Formal Charge0
Complexity480
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Dopamine Agonists

Drugs that bind to and activate dopamine receptors. (See all compounds classified as Dopamine Agonists.)