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    Cloprednol

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 20,357Xls

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    2D Structure
    Also known as: Cloradryn, 5251-34-3, Novacort, Syntestan, Rs-4691, Syp56o3gjg
    Molecular Formula
    C21H25ClO5
    Molecular Weight
    392.9  g/mol
    InChI Key
    YTJIBEDMAQUYSZ-FDNPDPBUSA-N
    FDA UNII
    SYP56O3GJG
    Cloprednol is a synthetic glucocorticoid that has been investigated for use in the treatment of asthma.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (8S,9S,10R,11S,13S,14S,17R)-6-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one
    2.1.2 InChI
    InChI=1S/C21H25ClO5/c1-19-5-3-11(24)7-14(19)15(22)8-12-13-4-6-21(27,17(26)10-23)20(13,2)9-16(25)18(12)19/h3,5,7-8,12-13,16,18,23,25,27H,4,6,9-10H2,1-2H3/t12-,13-,16-,18+,19-,20-,21-/m0/s1
    2.1.3 InChI Key
    YTJIBEDMAQUYSZ-FDNPDPBUSA-N
    2.1.4 Canonical SMILES
    CC12CC(C3C(C1CCC2(C(=O)CO)O)C=C(C4=CC(=O)C=CC34C)Cl)O
    2.1.5 Isomeric SMILES
    C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C=C(C4=CC(=O)C=C[C@]34C)Cl)O
    2.2 Other Identifiers
    2.2.1 UNII
    SYP56O3GJG
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Cloradryn

    2. 5251-34-3

    3. Novacort

    4. Syntestan

    5. Rs-4691

    6. Syp56o3gjg

    7. Cloprednolum

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

    9. Unii-syp56o3gjg

    10. Cloprednolum [inn-latin]

    11. Rs 4691

    12. Cloprednol [usan:inn:ban]

    13. Cloradryn (tn)

    14. Einecs 226-052-6

    15. Cloprednol [mi]

    16. Cloprednol [inn]

    17. Cloprednol (usan/inn)

    18. Cloprednol [usan]

    19. Cloprednol [mart.]

    20. Schembl4886

    21. Cloprednol [who-dd]

    22. (8s,9s,10r,11s,13s,14s,17r)-6-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8h-cyclopenta[a]phenanthren-3-one

    23. Chembl1697832

    24. Dtxsid1022849

    25. Chebi:135619

    26. Zinc4215431

    27. 6-chloro-11beta,17,21-trihydroxypregna-1,4,6-triene-3,20-dione

    28. (11beta)-6-chloro-11,17,21-trihydroxypregna-1,4,6-triene-3,20-dione

    29. Db13843

    30. Pregna-1,4,6-triene-3,20-dione, 6-chloro-11,17,21-trihydroxy-, (11.beta.)-

    31. D03561

    32. Q3680915

    33. 6-chloro-11beta,17alpha, 21-trihydroxypregn-1,4,6-triene-3,20-dione

    34. 6-chloro-11.beta.,17,21-trihydroxypregna-1,4,6-triene-3,20-dione

    35. Pregna-1,4,6-triene-3,20-dione, 6-chloro-11,17,21-trihydroxy-, (11beta)-

    2.4 Create Date
    2005-11-20
    3 Chemical and Physical Properties
    Molecular Weight 392.9 g/mol
    Molecular Formula C21H25ClO5
    XLogP31.9
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count2
    Exact Mass392.1390516 g/mol
    Monoisotopic Mass392.1390516 g/mol
    Topological Polar Surface Area94.8 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity813
    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

    H02AB14 - Cloprednol