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Chemistry

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Also known as: Betamethasone 17-benzoate, 22298-29-9, Uticort, Benisone, W 5975, W-5975
Molecular Formula
C29H33FO6
Molecular Weight
496.6  g/mol
InChI Key
SOQJPQZCPBDOMF-YCUXZELOSA-N
FDA UNII
877K0XW47A

Betamethasone Benzoate
1 2D Structure

Betamethasone Benzoate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] benzoate
2.1.2 InChI
InChI=1S/C29H33FO6/c1-17-13-22-21-10-9-19-14-20(32)11-12-26(19,2)28(21,30)23(33)15-27(22,3)29(17,24(34)16-31)36-25(35)18-7-5-4-6-8-18/h4-8,11-12,14,17,21-23,31,33H,9-10,13,15-16H2,1-3H3/t17-,21-,22-,23-,26-,27-,28-,29-/m0/s1
2.1.3 InChI Key
SOQJPQZCPBDOMF-YCUXZELOSA-N
2.1.4 Canonical SMILES
CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)OC(=O)C5=CC=CC=C5)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)CO)OC(=O)C5=CC=CC=C5)C)O)F)C
2.2 Other Identifiers
2.2.1 UNII
877K0XW47A
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Betamethasone 17-benzoate

2.3.2 Depositor-Supplied Synonyms

1. Betamethasone 17-benzoate

2. 22298-29-9

3. Uticort

4. Benisone

5. W 5975

6. W-5975

7. Ms 1112

8. 877k0xw47a

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

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

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

12. Euvaderm

13. Flurobate

14. Parbetan

15. Beben

16. Unii-877k0xw47a

17. Betamethasone Benzoate [usan:usp]

18. Einecs 244-897-9

19. Uticort (tn)

20. Betamethasone-17-benzoate

21. Bethamethasone 17-benzoate

22. Schembl49469

23. [(8s,9r,10s,11s,13s,14s,16s,17r)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] Benzoate

24. Betamethasone Benzoate (usp)

25. Chembl1200376

26. Dtxsid2022670

27. Chebi:135798

28. Zinc4212134

29. Betamethasone Benzoate [usan]

30. Betamethasonebenzoate(200mg)

31. Hy-u00161

32. Betamethasone Benzoate [vandf]

33. Betamethasone Benzoate [mart.]

34. Betamethasone Benzoate [usp-rs]

35. Betamethasone Benzoate [who-dd]

36. Cs-7216

37. 9-fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17-benzoate

38. Betamethasone 17-benzoate [mi]

39. Pregna-1,4-diene-3,20-dione, 9-fluoro-11.beta.,17,21-trihydroxy-16.beta.-methyl-, 17-benzoate

40. Betamethasone Benzoate [orange Book]

41. Betamethasone Benzoate [usp Impurity]

42. D02286

43. Q27269802

44. (11.beta.,16.beta.)-9-fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione17-benzoate

45. (11beta,16beta)-9-fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl Benzoate

46. 9-fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl Benzoate, (11.beta.,16.beta.)-#

2.4 Create Date
2005-10-11
3 Chemical and Physical Properties
Molecular Weight 496.6 g/mol
Molecular Formula C29H33FO6
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass496.22611693 g/mol
Monoisotopic Mass496.22611693 g/mol
Topological Polar Surface Area101 Ų
Heavy Atom Count36
Formal Charge0
Complexity1030
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

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.)


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