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    Technical details about DSSTox_CID_3260, learn more about the structure, uses, toxicity, action, side effects and more

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    DSSTox_CID_3260

    APIs // Active Pharmaceutical Ingredients

    DOSSIERs // Finished Dosage Forms

    MARKET PLACE

    ANALYTICAL SOLUTION(s)

    PharmaCompass

    Phyton is a World Leader in Plant Cell Fermentation Technology and Commercial Manufacturing.

    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    2D Structure
    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

    2D Structure

    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 Weight 372.5 g/mol
    Molecular Formula C22H28O5
    XLogP31.9
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count2
    Exact Mass372.19367399 g/mol
    Monoisotopic Mass372.19367399 g/mol
    Topological Polar Surface Area91.7 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity795
    Isotope Atom Count0
    Defined Atom Stereocenter Count7
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 ATC Code

    H - Systemic hormonal preparations, excl. sex hormones and insulins

    H02 - Corticosteroids for systemic use

    H02A - Corticosteroids for systemic use, plain

    H02AB - Glucocorticoids

    H02AB15 - Meprednisone

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