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Chemistry

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Also known as: 86401-95-8, Advantan, Methylprednisolone aceponate [inn], Sh-440, Et54w9j4u2, Pregna-1,4-diene-3,20-dione,21-(acetyloxy)-11-hydroxy-6-methyl-17-(1-oxopropoxy)-, (6a,11b)-
Molecular Formula
C27H36O7
Molecular Weight
472.6  g/mol
InChI Key
DALKLAYLIPSCQL-YPYQNWSCSA-N
FDA UNII
ET54W9J4U2

Methylprednisolone Aceponate
1 2D Structure

Methylprednisolone Aceponate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[(6S,8S,9S,10R,11S,13S,14S,17R)-17-(2-acetyloxyacetyl)-11-hydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] propanoate
2.1.2 InChI
InChI=1S/C27H36O7/c1-6-23(32)34-27(22(31)14-33-16(3)28)10-8-19-18-11-15(2)20-12-17(29)7-9-25(20,4)24(18)21(30)13-26(19,27)5/h7,9,12,15,18-19,21,24,30H,6,8,10-11,13-14H2,1-5H3/t15-,18-,19-,21-,24+,25-,26-,27-/m0/s1
2.1.3 InChI Key
DALKLAYLIPSCQL-YPYQNWSCSA-N
2.1.4 Canonical SMILES
CCC(=O)OC1(CCC2C1(CC(C3C2CC(C4=CC(=O)C=CC34C)C)O)C)C(=O)COC(=O)C
2.1.5 Isomeric SMILES
CCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2C[C@@H](C4=CC(=O)C=C[C@]34C)C)O)C)C(=O)COC(=O)C
2.2 Other Identifiers
2.2.1 UNII
ET54W9J4U2
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 6alpha-methylprednisolone Aceponate

2. Advantan

3. Adventan

4. Lexxema

2.3.2 Depositor-Supplied Synonyms

1. 86401-95-8

2. Advantan

3. Methylprednisolone Aceponate [inn]

4. Sh-440

5. Et54w9j4u2

6. Pregna-1,4-diene-3,20-dione,21-(acetyloxy)-11-hydroxy-6-methyl-17-(1-oxopropoxy)-, (6a,11b)-

7. [(6s,8s,9s,10r,11s,13s,14s,17r)-17-(2-acetyloxyacetyl)-11-hydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl] Propanoate

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

9. Methylprednisolone Aceponate (inn)

10. Aceponato De Metilprednisolona [spanish]

11. Methylprednisoloni Aceponas [latin]

12. Methylprednisoloni Aceponas

13. Zk91588

14. Brn 5663614

15. Unii-et54w9j4u2

16. Aceponate De Methylprednisolone [french]

17. Aceponato De Metilprednisolona

18. Aceponate De Methylprednisolone

19. Advantan (tn)

20. Methylprednisolone-aceponate

21. Schembl3466

22. 11beta,17,21-trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione, 21-acetate 17-propionate

23. Chembl1697782

24. Dtxsid2023301

25. 6?-methyl Prednisolone Aceponate

26. Chebi:135762

27. Zinc4213828

28. Mfcd00866150

29. Akos016003120

30. Ac-6842

31. Db14643

32. Methylprednisolone Aceponate [mi]

33. Ncgc00510142-01

34. Ds-18010

35. Methylprednisolone Aceponate [jan]

36. Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-11-hydroxy-6-methyl-17-(1-oxopropoxy)-, (6-alpha,11-beta)-

37. Zk-91588

38. 6.alpha.-methylprednisolone Aceponate

39. Methylprednisolone Aceponate [who-dd]

40. 6-.alpha.-methylprednisolone Aceponate

41. D07203

42. 401m958

43. A841638

44. Q6824052

45. 21-acetoxy-11beta-hydroxy-6alpha-methyl-17-propionyloxy-1,4-pregnadiene-3,20-dione

46. (6alpha,11beta)-21-(acetyloxy)-11-hydroxy-6-methyl-3,20-dioxopregna-1,4-dien-17-yl Propanoate

47. (6s,8s,9r,11s,13s,14s,17r)-17-(2-acetoxyacetyl)-11-hydroxy-6,10,13-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3h-cyclopenta[a]phenanthren-17-yl Propionate

48. 11.beta.,17,21-trihydroxy-6.alpha.-methylpregna-1,4-diene-3,20-dione, 21-acetate 17-propionate

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 472.6 g/mol
Molecular Formula C27H36O7
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass472.24610348 g/mol
Monoisotopic Mass472.24610348 g/mol
Topological Polar Surface Area107 Ų
Heavy Atom Count34
Formal Charge0
Complexity980
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.)


4.2 ATC Code

H02AB04

S76 | LUXPHARMA | Pharmaceuticals Marketed in Luxembourg | Pharmaceuticals marketed in Luxembourg, as published by d'Gesondheetskeess (CNS, la caisse nationale de sante, www.cns.lu), mapped by name to structures using CompTox by R. Singh et al. (in prep.). List downloaded from https://cns.public.lu/en/legislations/textes-coordonnes/liste-med-comm.html. Dataset DOI:10.5281/zenodo.4587355


D - Dermatologicals

D07 - Corticosteroids, dermatological preparations

D07A - Corticosteroids, plain

D07AC - Corticosteroids, potent (group iii)

D07AC14 - Methylprednisolone aceponate


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14-Dec-2021
17-Jul-2024
KGS
overview
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Average Price (USD/KGS)

Number of Transactions

Total Quantity (KGS)

Total Value (USD)

Quantity (KGS) & Unit rate (USD/KGS) over time

API Imports and Exports

Importing Country Total Quantity
(KGS)
Average Price
(USD/KGS)
Number of Transactions

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