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Chemistry

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Also known as: Alpha-santonin, 481-06-1, (-)-alpha-santonin, Semenen, Santoninum, Santoninic anhydride
Molecular Formula
C15H18O3
Molecular Weight
246.30  g/mol
InChI Key
XJHDMGJURBVLLE-BOCCBSBMSA-N
FDA UNII
1VL8J38ERO

Santonin
Anthelmintic isolated from the dried unexpanded flower heads of Artemisia maritima and other species of Artemisia found principally in Russian and Chinese Turkestan and the Southern Ural region. (From Merck, 11th ed.)
1 2D Structure

Santonin

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione
2.1.2 InChI
InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10-,13-,15-/m0/s1
2.1.3 InChI Key
XJHDMGJURBVLLE-BOCCBSBMSA-N
2.1.4 Canonical SMILES
CC1C2CCC3(C=CC(=O)C(=C3C2OC1=O)C)C
2.1.5 Isomeric SMILES
C[C@H]1[C@@H]2CC[C@]3(C=CC(=O)C(=C3[C@H]2OC1=O)C)C
2.2 Other Identifiers
2.2.1 UNII
1VL8J38ERO
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Alpha-santonin

2. 481-06-1

3. (-)-alpha-santonin

4. Semenen

5. Santoninum

6. Santoninic Anhydride

7. (-)-santonine

8. (-)-santonin

9. Nsc4900

10. Nsc-4900

11. 1vl8j38ero

12. Chebi:16363

13. .alpha.-santonin

14. (3s,3as,5as,9bs)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3h-benzo[g][1]benzofuran-2,8-dione

15. (3s,3as,5as,9bs)-3,5a,9-trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3h,4h)-dione

16. Dsstox_cid_25312

17. Dsstox_rid_80795

18. Dsstox_gsid_45312

19. Nsc 4900

20. A-santonin

21. L-.alpha.-santonin

22. L-alpha-santonin

23. (3s,3as,5as,9bs)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3h-benzo[g]benzofuran-2,8-dione

24. Santonin [jan]

25. Naphtho[1,2-b]furan-2,8(3h,4h)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, (3s,3as,5as,9bs)-

26. (-)-.alpha.-santonin

27. Santonin [jan:nf]

28. Sr-01000635568

29. Unii-1vl8j38ero

30. Ncgc00016461-01

31. Santonin (tn)

32. (3s,3as,5as,9bs)-3a,5,5a,9b-tetrahydro-3,5a,9-trimethylnaphtho(1,2-b)furan-2,8(3h,4h)-dione

33. (3s,3as,5as,9bs)-3a,5,5a,9b-tetrahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3h,4h)-dione

34. Cas-481-06-1

35. Naphtho(1,2-b)furan-2,8(3h,4h)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, (3s,3as,5as,9bs)-

36. ()-alpha-santonin

37. Einecs 207-560-7

38. Mfcd00135865

39. Nsc 41311

40. Santonine

41. Santonin (jp17)

42. Spectrum_000790

43. Specplus_000318

44. Ai3-19471

45. (-)- Alpha -santonin

46. Prestwick0_001070

47. Prestwick1_001070

48. Prestwick2_001070

49. Prestwick3_001070

50. Spectrum2_000699

51. Spectrum3_001245

52. Spectrum4_001476

53. Spectrum5_000151

54. Santoninum [hpus]

55. Santonin [mart.]

56. Santonin [who-dd]

57. Upcmld-dp084

58. (3s,5as,9bs)-3a,5,5a,9b-tetrahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3h,4h)dione

59. Bspbio_001060

60. Bspbio_002750

61. Kbiogr_002051

62. Kbioss_001270

63. Spectrum300542

64. Mls002154141

65. Divk1c_006414

66. Spbio_000857

67. Spbio_002970

68. Alpha-santonin; (-)-santonin

69. Bpbio1_001166

70. Chembl259254

71. Megxp0_001636

72. Schembl1133565

73. .alpha.-santonin [mi]

74. Dtxsid7045312

75. Upcmld-dp084:001

76. Kbio1_001358

77. Kbio2_001270

78. Kbio2_003838

79. Kbio2_006406

80. Kbio3_002250

81. (-)-alpha-santonin, >=99%

82. Hms1571e22

83. Hms2098e22

84. Hms2268h12

85. Hy-b1761

86. Zinc3881689

87. Tox21_110445

88. Ccg-40021

89. S3999

90. 11-epiisoeusantona-1,4-dienic Acid, 6alpha-hydroxy-3-oxo-, Gamma-lactone

91. Akos015895177

92. Tox21_110445_1

93. Lmpr0103190001

94. Sdccgmls-0066491.p001

95. (3s)-2,3,3a,4,5,5a,8,9bbeta-octahydro-3,5abeta,9-trimethylnaphtho(1,2-b)furan-2,8-dion

96. Eudesma-1,4-dien-12-oic Acid, 6-alpha-hydroxy-3-oxo-, Gamma-lactone, (11s)-(-)-

97. Naphtho(1,2-b)puran-2,8(3h,4h)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-

98. (-)-alpha-santonin, Analytical Standard

99. Ncgc00161640-01

100. Ncgc00161640-02

101. Ncgc00161640-03

102. Ncgc00263447-01

103. Smr000112520

104. Ab00376930

105. Cs-0013789

106. S0521

107. C02206

108. D00154

109. Wln: T B566 Cov Lv Ihtt&j E1 I1 M1

110. A827469

111. Q413166

112. Sr-01000635568-1

113. Sr-01000635568-4

114. Sr-01000635568-5

115. Brd-k58787433-001-05-4

116. Brd-k58787433-001-08-8

117. Brd-k58787433-001-12-0

118. Santonin, European Pharmacopoeia (ep) Reference Standard

119. 11-epiisoeusantona-1, 6.alpha.-hydroxy-3-oxo-, .gamma.-lactone

120. 3-(6-nitro-2-oxo-1,3-benzoxazol-3(2h)-yl)propanoicacid

121. Eudesma-1, 6.alpha.-hydroxy-3-oxo-, .gamma.-lactone, (11s)-

122. (11s)-6alpha-hydroxy-3-oxoeudesma-1,4-dien-12-oic Acid Gamma-lactone

123. 6alpha-hydroxy-3-oxo-11-epiisoeusantona-1,4-dienic Acid Gamma-lactone

124. Eudesma-1, 6.alpha.-hydroxy-3-oxo-, .gamma.-lactone, (11s)-(-)-

125. Naphtho[1,8(3h,4h)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-

126. 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-naphtho[1,2-b]puran-2,8(3h,4h)-dione

127. Eudesma-1,4-dien-12-oic Acid, 6-alpha-hydroxy-3-oxo-, Gamma-lactone, (11s)-

128. (3s,3as,5as)-3,5a,9-trimethyl-3a,4,5,5a-tetrahydronaphtho(1,2-b)furan-2,8(3h,9bh)-dione

129. (3s,3as,5as,9bs)-2,3,3a,4,5,5a,8,9b-octahydro-3,5a,9-trimethylnaphtho(1,2-b)furan-2,8-dione

130. (3s,3as,5as,9bs)-3,5a,9-trimethyl-3a,4,5,5a-tetrahydronaphtho[1,2-b]furan-2,8(3h,9bh)-dione

131. 1,3,4,4a,7-hexahydro-1-hydroxy-.alpha., 4a,8-trimethyl-7-oxo-2-naphthaleneacetic Acid .gamma.-lactone

132. Naphtho[1,8(3h,4h)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, [3s-(3.alpha.,3a.alpha.,5a.beta.,9b.beta.)]-

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 246.30 g/mol
Molecular Formula C15H18O3
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass246.125594432 g/mol
Monoisotopic Mass246.125594432 g/mol
Topological Polar Surface Area43.4 Ų
Heavy Atom Count18
Formal Charge0
Complexity500
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Antinematodal Agents

Substances used in the treatment or control of nematode infestations. They are used also in veterinary practice. (See all compounds classified as Antinematodal Agents.)


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Santonin manufacturers, exporters & distributors 1

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PharmaCompass offers a list of Santonin API manufacturers, exporters & distributors, which can be sorted by GMP, USDMF, JDMF, KDMF, CEP (COS), WC, Price,and more, enabling you to easily find the right Santonin manufacturer or Santonin supplier for your needs.

Send us enquiries for free, and we will assist you in establishing a direct connection with your preferred Santonin manufacturer or Santonin supplier.

PharmaCompass also assists you with knowing the Santonin API Price utilized in the formulation of products. Santonin API Price is not always fixed or binding as the Santonin Price is obtained through a variety of data sources. The Santonin Price can also vary due to multiple factors, including market conditions, regulatory modifications, or negotiated pricing deals.

API | Excipient name

Santonin

Synonyms

Alpha-santonin, 481-06-1, (-)-alpha-santonin, Semenen, Santoninum, Santoninic anhydride

Cas Number

481-06-1

Unique Ingredient Identifier (UNII)

1VL8J38ERO

About Santonin

Anthelmintic isolated from the dried unexpanded flower heads of Artemisia maritima and other species of Artemisia found principally in Russian and Chinese Turkestan and the Southern Ural region. (From Merck, 11th ed.)

Santonin Manufacturers

A Santonin manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of Santonin, including repackagers and relabelers. The FDA regulates Santonin manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. Santonin API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

Santonin Suppliers

A Santonin supplier is an individual or a company that provides Santonin active pharmaceutical ingredient (API) or Santonin finished formulations upon request. The Santonin suppliers may include Santonin API manufacturers, exporters, distributors and traders.

Santonin GMP

Santonin Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of Santonin GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right Santonin GMP manufacturer or Santonin GMP API supplier for your needs.

Santonin CoA

A Santonin CoA (Certificate of Analysis) is a formal document that attests to Santonin's compliance with Santonin specifications and serves as a tool for batch-level quality control.

Santonin CoA mostly includes findings from lab analyses of a specific batch. For each Santonin CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

Santonin may be tested according to a variety of international standards, such as European Pharmacopoeia (Santonin EP), Santonin JP (Japanese Pharmacopeia) and the US Pharmacopoeia (Santonin USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.
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