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    Finished Dosage Form (FDF) export of Benzodrocortisone obtained from Indian Custom Trade Statistics

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    Chemistry

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    Also known as: 28956-89-0, Bcv386qguz, 11beta,17,21-trihydroxypregn-4-ene-3,20-dione 17-benzoate, (8s,9s,10r,11s,13s,14s,17r)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl benzoate, Einecs 249-328-8, Unii-bcv386qguz
    Molecular Formula
    C28H34O6
    Molecular Weight
    466.6  g/mol
    InChI Key
    LPEYMYDYPGRLBU-YGZHYJPASA-N
    FDA UNII
    BCV386QGUZ
    Benzodrocortisone
    1 2D Structure

    Benzodrocortisone

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] benzoate
    2.1.2 InChI
    InChI=1S/C28H34O6/c1-26-12-10-19(30)14-18(26)8-9-20-21-11-13-28(23(32)16-29,27(21,2)15-22(31)24(20)26)34-25(33)17-6-4-3-5-7-17/h3-7,14,20-22,24,29,31H,8-13,15-16H2,1-2H3/t20-,21-,22-,24+,26-,27-,28-/m0/s1
    2.1.3 InChI Key
    LPEYMYDYPGRLBU-YGZHYJPASA-N
    2.1.4 Canonical SMILES
    CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)OC(=O)C5=CC=CC=C5)C)O
    2.1.5 Isomeric SMILES
    C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)OC(=O)C5=CC=CC=C5)C)O
    2.2 Other Identifiers
    2.2.1 UNII
    BCV386QGUZ
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 28956-89-0

    2. Bcv386qguz

    3. 11beta,17,21-trihydroxypregn-4-ene-3,20-dione 17-benzoate

    4. (8s,9s,10r,11s,13s,14s,17r)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl Benzoate

    5. Einecs 249-328-8

    6. Unii-bcv386qguz

    7. Hydrocortisone 17-benzoate

    8. Benzodrocortisone [inn]

    9. Gtpl9731

    10. Schembl14935737

    11. Dtxsid10951574

    12. Bdbm323671

    13. Zinc31391536

    14. Compound 1 [wo2013071010]

    15. Us10188667, Example 00012

    16. Us10188667, Example 00028

    17. [(8s,9s,10r,11s,13s,14s,17r)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] Benzoate

    18. 17-(benzoyloxy)-11beta,21-dihydroxypregn-4-ene-3,20-dione

    19. Pregn-4-ene-3,20-dione, 17-(benzoyloxy)-11,21-dihydroxy-, (11.beta.)-

    20. [(8s,9s,10r,11s,13s,14s,17r)-11-hydroxy-17-(2-hydroxy-acetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] Benzoate

    21. Cortisol, 17-benzoate(11.beta.)-17-(benzoyloxy)-11,21-dihydroxypregn-4-ene-3,20-dione

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 466.6 g/mol
    Molecular Formula C28H34O6
    XLogP34
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count5
    Exact Mass466.23553880 g/mol
    Monoisotopic Mass466.23553880 g/mol
    Topological Polar Surface Area101 Ų
    Heavy Atom Count34
    Formal Charge0
    Complexity903
    Isotope Atom Count0
    Defined Atom Stereocenter Count7
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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