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Clobetasone Butyrate

Clobetasone Butyrate

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Also known as: 25122-57-0, Clobetasone 17-butyrate, Cci 5537, Kindavate, Gr 2/1214, 8u0h6xi6eo

Molecular Formula

C₂₆H₃₂ClFO₅

Molecular Weight

479.0 g/mol

InChI Key

FBRAWBYQGRLCEK-AVVSTMBFSA-N

FDA UNII

8U0H6XI6EO

1 2D Structure

Clobetasone Butyrate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(8S,9R,10S,13S,14S,16S,17R)-17-(2-chloroacetyl)-9-fluoro-10,13,16-trimethyl-3,11-dioxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl] butanoate

2.1.2 InChI

InChI=1S/C26H32ClFO5/c1-5-6-22(32)33-26(21(31)14-27)15(2)11-19-18-8-7-16-12-17(29)9-10-23(16,3)25(18,28)20(30)13-24(19,26)4/h9-10,12,15,18-19H,5-8,11,13-14H2,1-4H3/t15-,18-,19-,23-,24-,25-,26-/m0/s1

2.1.3 InChI Key

FBRAWBYQGRLCEK-AVVSTMBFSA-N

2.1.4 Canonical SMILES

CCCC(=O)OC1(C(CC2C1(CC(=O)C3(C2CCC4=CC(=O)C=CC43C)F)C)C)C(=O)CCl

2.1.5 Isomeric SMILES

CCCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(CC(=O)[C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)C)C)C(=O)CCl

2.2 Other Identifiers

2.2.1 UNII

8U0H6XI6EO

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 21-chloro-11-dehydro-betamethasone-17-butyrate

2. Clobetasone 17-butyrate

3. Emovate

4. Eumovate

5. Trimovate

2.3.2 Depositor-Supplied Synonyms

1. 25122-57-0

2. Clobetasone 17-butyrate

3. Cci 5537

4. Kindavate

5. Gr 2/1214

6. 8u0h6xi6eo

7. 21-chloro-9-fluoro-17-hydroxy-16-methylpregna-1,4-diene-3,11,20-trione 17-butyrate

8. 21-chloro-9-fluoro-17-hydroxy-16beta-methylpregna-1,4-diene-3,11,20-trione 17-butyrate

9. Gnf-pf-1500

10. Mls000028658

11. Pregna-1,4-diene-3,11,20-trione, 21-chloro-9-fluoro-16-methyl-17-(1-oxobutoxy)-, (16beta)-

12. Emovate

13. Molivate

14. Smr000058879

15. Dsstox_cid_26823

16. Dsstox_rid_81935

17. Dsstox_gsid_46823

18. [(8s,9r,10s,13s,14s,16s,17r)-17-(2-chloroacetyl)-9-fluoro-10,13,16-trimethyl-3,11-dioxo-7,8,12,14,15,16-hexahydro-6h-cyclopenta[a]phenanthren-17-yl] Butanoate

19. Cloptison

20. Cas-25122-57-0

21. Clobetasone Butyrate [usan:jan]

22. Einecs 246-635-9

23. Sn 203

24. Unii-8u0h6xi6eo

25. Cci-5537

26. Clofasone Butyrate

27. Kindavate (tn)

28. Ncgc00181043-01

29. Clobetasone-butyrate

30. Mfcd00133196

31. Butyric Acid Clobetasone

32. Opera_id_1547

33. 21-chloro-9-fluoro-17-hydroxy-16-beta-methylpregna-1,4-diene,3,11,20-trione Butyrate

34. 21-chloro-9-fluoro-17-hydroxy-16beta-methylpregna-1,4-diene-3,11,20-trione Butyrate

35. Schembl36599

36. Mls001076290

37. Pregna-1,4-diene-3,11,20-trione, 21-chloro-9-fluoro-16-methyl-17-(1-oxobutoxy)-, (16-beta)-

38. Clobetasone Butyrate, >=98%

39. Chembl577673

40. Dtxsid3046823

41. Chebi:31415

42. Clobetasone Butyrate (jan/usan)

43. Clobetasone Butyrate [jan]

44. Hms2234b13

45. Clobetasone Butyrate [usan]

46. Hy-b1616

47. Pregna-1,4-diene-3,11,20-trione, 21-chloro-9-fluoro-16-methyl-17-(1-oxobutoxy)-, (16.beta.)-

48. Zinc4215391

49. Tox21_112691

50. Clobetasone Butyrate [mart.]

51. S6587

52. Clobetasone Butyrate [who-dd]

53. Akos037748814

54. Clobetasone 17-butyrate [mi]

55. Tox21_112691_1

56. Pregna-1,4-diene-3,11,20-trione, 21-chloro-9-fluoro-17-hydroxy-16-beta-methyl-, Butyrate

57. Ncgc00022019-03

58. As-14689

59. Clobetasone Butyrate [ep Monograph]

60. Clobetasone Butyrate For System Suitability

61. Gr-2/1214

62. C3510

63. Cs-0013549

64. D01273

65. T70655

66. 122c570

67. A924946

68. Sr-01000000249

69. Clobetasone Butyrate 100 Microg/ml In Acetonitrile

70. Sr-01000000249-3

71. W-107264

72. Q27271005

73. Clobetasone Butyrate, European Pharmacopoeia (ep) Reference Standard

74. (16beta)-21-chloro-9-fluoro-16-methyl-3,11,20-trioxopregna-1,4-dien-17-yl Butyrate

75. Clobetasone Butyrate For System Suitability, European Pharmacopoeia (ep) Reference Standard

76. 21-chloro-9-fluoro-17-hydroxy-16.beta.-methylpregna-1,4-diene-3,11,20-trione Butyrate

77. Pregna-1,4-diene-3,11,20-trione, 21-chloro-9-fluoro-16-methyl-17-(1-oxobutoxy)-, (16b)-

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₂₆H₃₂ClFO₅
Molecular Weight	479.0 g/mol
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	478.1922300 g/mol
Monoisotopic Mass	478.1922300 g/mol
Topological Polar Surface Area	77.5 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	987
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Anti-Inflammatory Agents

Substances that reduce or suppress INFLAMMATION. (See all compounds classified as Anti-Inflammatory Agents.)

Glucocorticoids

A group of CORTICOSTEROIDS that affect carbohydrate metabolism (GLUCONEOGENESIS, liver glycogen deposition, elevation of BLOOD SUGAR), inhibit ADRENOCORTICOTROPIC HORMONE secretion, and possess pronounced anti-inflammatory activity. They also play a role in fat and protein metabolism, maintenance of arterial blood pressure, alteration of the connective tissue response to injury, reduction in the number of circulating lymphocytes, and functioning of the central nervous system. (See all compounds classified as Glucocorticoids.)