16-Alpha-Hydroxy Prednisolone manufacturers and suppliers on PharmaCompass

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Also known as: 13951-70-7, 16, A-hydroxyprednisolone, 11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione, Sw97540dc2, 11b,16a,17a,21-tetrahydroxypregna-1,4-diene-3,20-dione
Molecular Formula
C21H28O6
Molecular Weight
376.4  g/mol
InChI Key
SEKYBDYVXDAYPY-ILNISADRSA-N
FDA UNII
SW97540DC2

16-Alpha-Hydroxy Prednisolone
1 2D Structure

16-Alpha-Hydroxy Prednisolone

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(8S,9S,10R,11S,13S,14S,16R,17S)-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
2.1.2 InChI
InChI=1S/C21H28O6/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h5-7,13-16,18,22,24-25,27H,3-4,8-10H2,1-2H3/t13-,14-,15-,16+,18+,19-,20-,21-/m0/s1
2.1.3 InChI Key
SEKYBDYVXDAYPY-ILNISADRSA-N
2.1.4 Canonical SMILES
CC12CC(C3C(C1CC(C2(C(=O)CO)O)O)CCC4=CC(=O)C=CC34C)O
2.1.5 Isomeric SMILES
C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@H]([C@@]2(C(=O)CO)O)O)CCC4=CC(=O)C=C[C@]34C)O
2.2 Other Identifiers
2.2.1 UNII
SW97540DC2
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 13951-70-7

2. 16

3. A-hydroxyprednisolone

4. 11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione

5. Sw97540dc2

6. 11b,16a,17a,21-tetrahydroxypregna-1,4-diene-3,20-dione

7. Pregna-1,4-diene-3,20-dione, 11,16,17,21-tetrahydroxy-, (11b,16a)-

8. (8s,9s,10r,11s,13s,14s,16r,17s)-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-3-one

9. 11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione (16alpha-hydroxyprednisolone)

10. (11beta,16alpha)-11,16,17,21-tetrahydroxypregna-1,4-diene-3,20-dione

11. Einecs 237-731-1

12. Dtxsid20930496

13. Unii-sw97540dc2

14. Mfcd00872019

15. (8s,9s,10r,11s,13s,14s,16r,17s)-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3h-cyclopenta[a]phenanthren-3-one

16. 16

17. A-hydroxy-prednisolone

18. Ec 237-731-1

19. 11?,16?,17?,21-tetrahydroxypregna-1,4-diene-3,20-dione

20. Schembl145096

21. 16a-hydroxy-prednisolone

22. Chembl3542319

23. Bcp04133

24. Ac1111

25. Zinc22066879

26. 16.alpha.-hydroxyprednisolone

27. Akos025286083

28. Bcp9000061

29. Pregna-1,4-diene-3,20-dione, 11,16,17,21-tetrahydroxy-, (11.beta.,16.alpha.)-

30. Bcp0726000097

31. Budesonide Impurity A [ep Impurity]

32. Hy-117580

33. Cs-0066553

34. 951t707

35. A807552

36. Q-101381

37. Q27289433

38. (11?,16?)-11,16,17,21-tetrahydroxypregna-1,4-diene-3,20-dione

39. 11beta,16alpha,17alpha,21-tetrahydroxypregna-1,4-diene-3,20-dione

40. Pregna-1,4-diene-3,20-dione, 11,16,17,21-tetrahydroxy-, (11beta,16alpha)-

41. (9s,10r,11s,13s,14s,16r,17s)-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3h-cyclopenta[a]phenanthren-3-one

42. 16alpha-hydroxyprednisolone (11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione)

2.4 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 376.4 g/mol
Molecular Formula C21H28O6
XLogP31.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass376.18858861 g/mol
Monoisotopic Mass376.18858861 g/mol
Topological Polar Surface Area115 Ų
Heavy Atom Count27
Formal Charge0
Complexity756
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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