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Chemistry

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Also known as: 987-24-6, Betamethasone 21-acetate, Beta-methasone acetate, Ti05ao53l7, Chebi:31275, 9-fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 21-acetate
Molecular Formula
C24H31FO6
Molecular Weight
434.5  g/mol
InChI Key
AKUJBENLRBOFTD-QZIXMDIESA-N
FDA UNII
TI05AO53L7

Betamethasone Acetate
1 2D Structure

Betamethasone Acetate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
2.1.2 InChI
InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17-,18-,19-,21-,22-,23-,24-/m0/s1
2.1.3 InChI Key
AKUJBENLRBOFTD-QZIXMDIESA-N
2.1.4 Canonical SMILES
CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)C)O)C)O)F)C
2.1.5 Isomeric SMILES
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)O)F)C
2.2 Other Identifiers
2.2.1 UNII
TI05AO53L7
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 987-24-6

2. Betamethasone 21-acetate

3. Beta-methasone Acetate

4. Ti05ao53l7

5. Chebi:31275

6. 9-fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 21-acetate

7. Nsc-759196

8. (11b,16a)-9-fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione 21-acetate

9. (11beta,16beta)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl Acetate

10. 9-fluoro-11beta,17-dihydroxy-16beta-methyl-3,20-dioxopregna-1,4-dien-21-yl Acetate

11. [2-[(8s,9r,10s,11s,13s,14s,16s,17r)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] Acetate

12. Betamethasone Acetate [jan]

13. Unii-ti05ao53l7

14. Betamethasone Acetate [usp:jan]

15. Betamethasone-acetate

16. Einecs 213-578-6

17. 9alpha-fluoro-11beta,17alpha,21-trihydroxy-16beta-methyl-1,4-pregnadiene-3,20-dione 21-acetate

18. Betamethason-21-acetat

19. Schembl7592

20. Betamethasone21-acetate

21. Chembl1200538

22. Dtxsid8022668

23. Betamethasone Acetate (jan/usp)

24. 9-fluoro-11.beta.,17,21-trihydroxy-16.beta.-methylpregna-1,4-diene-3,20-dione 21-acetate

25. Amy39051

26. Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-(acetyloxy)-, (11.beta.,16.beta.)-

27. Zinc4212130

28. Betamethasone Acetate [vandf]

29. Betamethasone Acetate [mart.]

30. Akos015896575

31. Betamethasone Acetate [usp-rs]

32. Betamethasone Acetate [who-dd]

33. Nsc 759196

34. Betamethasone Acetate [green Book]

35. Betamethasone Acetate [ep Impurity]

36. Betamethasone Acetate [orange Book]

37. Betamethasone Acetate [ep Monograph]

38. B3165

39. Betamethasone Acetate [usp Monograph]

40. Osurnia Component Betamethasone Acetate

41. D01402

42. T71509

43. Betamethasone Acetate 100 Microg/ml In Methanol

44. Betamethasone Acetate Component Of Osurnia

45. 987m246

46. Betamethasone Valerate Impurity A [ep Impurity]

47. Dexamethasone Acetate Impurity D [ep Impurity]

48. Q27114254

49. Celestone Soluspan Component Betamethasone Acetate

50. Betamethasone Acetate Component Of Celestone Soluspan

51. Betamethasone Acetate, European Pharmacopoeia (ep) Reference Standard

52. Betamethasone Acetate, United States Pharmacopeia (usp) Reference Standard

53. Betamethasone Acetate, Pharmaceutical Secondary Standard; Certified Reference Material

54. 9alpha-fluoro-16beta-methyl-11beta,17alpha,21-trihydroxy-1,4-pregnadiene-3,20-dione 21-acetate

55. Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9-fluoro-11,17-dihydroxy-16-methyl-, (11beta,16beta)-

56. Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-(acetyloxy)-, (11beta,16beta)-

2.4 Create Date
2005-06-24
3 Chemical and Physical Properties
Molecular Weight 434.5 g/mol
Molecular Formula C24H31FO6
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass434.21046687 g/mol
Monoisotopic Mass434.21046687 g/mol
Topological Polar Surface Area101 Ų
Heavy Atom Count31
Formal Charge0
Complexity910
Isotope Atom Count0
Defined Atom Stereocenter Count8
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

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.)


Anti-Inflammatory Agents

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


API Reference Price

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11-Feb-2021
15-Oct-2024
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