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Chemistry

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Also known as: 1247-42-3, Betapar, Betanisona, Sch 4358, Bitanisone, Betapar(meprednisone)

Molecular Formula

C₂₂H₂₈O₅

Molecular Weight

372.5 g/mol

InChI Key

PIDANAQULIKBQS-RNUIGHNZSA-N

FDA UNII

67U96J8P35

1 2D Structure

Meprednisone

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(8S,9S,10R,13S,14S,16S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione

2.1.2 InChI

InChI=1S/C22H28O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h6-7,9,12,15-16,19,23,27H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,19+,20-,21-,22-/m0/s1

2.1.3 InChI Key

PIDANAQULIKBQS-RNUIGHNZSA-N

2.1.4 Canonical SMILES

CC1CC2C3CCC4=CC(=O)C=CC4(C3C(=O)CC2(C1(C(=O)CO)O)C)C

2.1.5 Isomeric SMILES

C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@H]3C(=O)C[C@@]2([C@]1(C(=O)CO)O)C)C

2.2 Other Identifiers

2.2.1 UNII

67U96J8P35

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 16-methylprednisone

2. Betapar

2.3.2 Depositor-Supplied Synonyms

1. 1247-42-3

2. Betapar

3. Betanisona

4. Sch 4358

5. Bitanisone

6. Betapar(meprednisone)

7. Nsc 527579

8. Lepicortin-beta

9. Deltisona B

10. Deltacortene Beta

11. Sch-4358

12. Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxy-16-methyl-, (16beta)-

13. 67u96j8p35

14. Nsc-527579

15. Dsstox_cid_3260

16. Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxy-16-methyl-, (16b)-

17. Dsstox_rid_76945

18. Dsstox_gsid_23260

19. (8s,9s,10r,13s,14s,16s,17r)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione

20. (8s,9s,10r,13s,14s,16s,17r)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,10,12,13,14,15,16,17-decahydro-3h-cyclopenta[a]phenanthrene-3,11(6h)-dione

21. Meprednisona

22. Meprednisonum

23. Cas-1247-42-3

24. 16beta-methylprednisone

25. 16-beta-metilprednisone

26. 16-beta-methylprednisone

27. Meprednisonum [inn-latin]

28. Meprednisona [inn-spanish]

29. Meprednisone [usan:usp:inn]

30. Unii-67u96j8p35

31. Ncgc00182851-01

32. Einecs 214-996-1

33. Betapar (meprednisone)

34. Meprednisone (usp/inn)

35. Meprednisone [mi]

36. Meprednisone [inn]

37. Meprednisone [usan]

38. Schembl9512

39. Meprednisone [mart.]

40. 1,4-pregnadien-16-beta-methyl-17,21-diol-3,11,20-trione

41. Meprednisone [usp-rs]

42. Meprednisone [who-dd]

43. Chembl1201148

44. Dtxsid8023260

45. Chebi:135573

46. Meprednisone [orange Book]

47. Meprednisone [usp Impurity]

48. 17,21-dihydroxy-16beta-methylpregna-1,4-diene-3,11,20-trione

49. Hy-b0243

50. Zinc4216862

51. Tox21_113612

52. S1689

53. Akos025149904

54. Tox21_113612_1

55. Ccg-268328

56. Db09383

57. Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxy-16-methyl-, (16.beta.)-

58. Ncgc00182851-02

59. As-72185

60. Meprednisone 100 Microg/ml In Acetonitrile

61. D06673

62. Ab01274711-01

63. Ab01274711_02

64. 247m423

65. A805287

66. Sr-01000945264

67. J-005162

68. Q6817833

69. Sr-01000945264-1

70. Z1869763209

71. 17,21-dihydroxy-16.beta.-methylpregna-1,4-diene-3,11,20-trione

72. (16beta)-17,21-dihydroxy-16-methylpregna-1,4-diene-3,11,20-trione

73. (1r,2s,3as,3bs,9ar,9bs,11as)-1-hydroxy-1-(2-hydroxyacetyl)-2,9a,11a-trimethyl-1h,2h,3h,3ah,3bh,4h,5h,7h,9ah,9bh,10h,11h,11ah-cyclopenta[a]phenanthrene-7,10-dione

74. (1s,2r,10s,11s,13s,14r,15s)-14-hydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-diene-5,17-dione

75. (8s,9s,10r,13s,14s,16s,17r)-10,13,16-trimethyl-17-oxidanyl-17-(2-oxidanylethanoyl)-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione

76. (8s,9s,10r,13s,14s,16s,17r)-17-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione

2.4 Create Date

2005-11-20

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₂₈O₅
Molecular Weight	372.5 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	372.19367399 g/mol
Monoisotopic Mass	372.19367399 g/mol
Topological Polar Surface Area	91.7 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	795
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1