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2D Structure
Also known as: 14899-36-6, Dexamethasone 21-palmitate, 601xwn7060, Dtxsid8022903, Nova63035, 9-fluoro-11,17-dihydroxy-16-methyl-21-((1-oxohexadecyl)oxy)pregna-1,4-diene-3,20-dione (11beta,16alpha)-
Molecular Formula
C38H59FO6
Molecular Weight
630.9  g/mol
InChI Key
WDPYZTKOEFDTCU-WDJQFAPHSA-N
FDA UNII
601XWN7060

a liposteroid for treatment of hemophagocytic lymphohistiocytosis
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[2-[(8S,9R,10S,11S,13S,14S,16R,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] hexadecanoate
2.1.2 InChI
InChI=1S/C38H59FO6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-34(43)45-26-33(42)38(44)27(2)23-31-30-20-19-28-24-29(40)21-22-35(28,3)37(30,39)32(41)25-36(31,38)4/h21-22,24,27,30-32,41,44H,5-20,23,25-26H2,1-4H3/t27-,30+,31+,32+,35+,36+,37+,38+/m1/s1
2.1.3 InChI Key
WDPYZTKOEFDTCU-WDJQFAPHSA-N
2.2 Other Identifiers
2.2.1 UNII
601XWN7060
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Dexamethasone 21-palmitate

2.3.2 Depositor-Supplied Synonyms

1. 14899-36-6

2. Dexamethasone 21-palmitate

3. 601xwn7060

4. Dtxsid8022903

5. Nova63035

6. 9-fluoro-11,17-dihydroxy-16-methyl-21-((1-oxohexadecyl)oxy)pregna-1,4-diene-3,20-dione (11beta,16alpha)-

7. Refchem:132373

8. Dtxcid202903

9. Limethason

10. Dexamethasone Palmitate [jan]

11. [2-[(8s,9r,10s,11s,13s,14s,16r,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] Hexadecanoate

12. C38h59fo6

13. Dexamethasone Palmitate (jan)

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

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

16. Brn 6031847

17. Mfcd01698988

18. Unii-601xwn7060

19. Limethason (tn)

20. Nova-63035

21. Schembl93887

22. Orb1308392

23. Orb3025698

24. Chebi:31471

25. Msk159619

26. S5184

27. Akos040741625

28. Fd21400

29. Msk159619-100a

30. Dexamethasone Palmitate [who-dd]

31. Ncgc00522021-01

32. Da-62804

33. Ms-30856

34. Palmitic Acid, 21-ester With 9-fluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione

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

36. Pregna-1,4-diene-3,20-dione, 9-fluoro-11-beta,17,21-trihydroxy-16-alpha-methyl-, 21-palmitate

37. Sy357842

38. Hy-128922

39. Cs-0102469

40. D01615

41. G13029

42. Q27263139

43. Dexamethasone Palmitate Solution In Acetonitrile, 100ug/ml

44. 9-fluoro-11beta,17-dihydroxy-16alpha-methyl-3,20-dioxopregna-1,4-dien-21-yl Hexadecanoate

45. (11b,16a)-9-fluoro-11,17-dihydroxy-16-methyl-21-[(1-oxohexadecyl)oxy]pregna-1,4-diene-3,20-dione

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

47. [2-[(8s,9r,10s,11s,13s,14s,16r,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-oxo-ethyl] Hexadecanoate

48. 9-fluoro-11,17-dihydroxy-16-methyl-21-((1- Oxohexadecyl)oxy)pregna-1,4-diene-3,20-dione (11.beta.,16.alpha.)-

2.4 Create Date
2005-06-24
3 Chemical and Physical Properties
Molecular Weight 630.9 g/mol
Molecular Formula C38H59FO6
XLogP39.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count18
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area101
Heavy Atom Count45
Formal Charge0
Complexity1130
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1