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    Tralonide

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 21365-49-1, 38etx8it42, (1s,2s,4r,8s,9s,11s,12r,13s,19s)-11,12-dichloro-19-fluoro-8-(2-fluoroacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one, Tralonidum, Tralonida, Tralonide [inn]
    Molecular Formula
    C24H28Cl2F2O4
    Molecular Weight
    489.4  g/mol
    InChI Key
    OGZHZYVCWDUIJV-VSXGLTOVSA-N
    FDA UNII
    38ETX8IT42
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1S,2S,4R,8S,9S,11S,12R,13S,19S)-11,12-dichloro-19-fluoro-8-(2-fluoroacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
    2.1.2 InChI
    InChI=1S/C24H28Cl2F2O4/c1-20(2)31-19-9-13-14-8-16(28)15-7-12(29)5-6-21(15,3)23(14,26)17(25)10-22(13,4)24(19,32-20)18(30)11-27/h5-7,13-14,16-17,19H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,21-,22-,23-,24+/m0/s1
    2.1.3 InChI Key
    OGZHZYVCWDUIJV-VSXGLTOVSA-N
    2.1.4 Canonical SMILES
    CC1(OC2CC3C4CC(C5=CC(=O)C=CC5(C4(C(CC3(C2(O1)C(=O)CF)C)Cl)Cl)C)F)C
    2.1.5 Isomeric SMILES
    C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CF)C[C@@H](C5=CC(=O)C=C[C@@]53C)F)Cl)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    38ETX8IT42
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 9,11-dichloro-6,21-difluoropregna-1,4-diene- 16,17-diol-3,20-dione 16,17-acetonide

    2.3.2 Depositor-Supplied Synonyms

    1. 21365-49-1

    2. 38etx8it42

    3. (1s,2s,4r,8s,9s,11s,12r,13s,19s)-11,12-dichloro-19-fluoro-8-(2-fluoroacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one

    4. Tralonidum

    5. Tralonida

    6. Tralonide [inn]

    7. Tralonide (usan/inn)

    8. Tralonide [usan:inn]

    9. Tralonide [usan]

    10. Tralonidum [inn-latin]

    11. Tralonida [inn-spanish]

    12. Unii-38etx8it42

    13. Schembl93898

    14. Chembl2105543

    15. Dtxsid60175627

    16. Zinc4214514

    17. D06201

    18. Q27256780

    19. (6alpha, 11beta,16alpha)-9,11-dichloro-6,21-difluoro-16,17-((1-methylethylidene)bis(oxy))pregna-1,4-diene-3,20-dione

    20. 9,11.beta.-dichloro-6.alpha.,21-difluoro-16.alpha.,17-dihydroxypregna-1,4-diene-3,20-dione Cyclic Acetal With Acetone

    21. 9,11beta-dichloro-6alpha,21-difluoro-16alpha,17-dihydroxypregna-1,4-diene-3,20-dione Cyclic Acetal With Acetone

    22. Pregna-1,4-diene-3,20-dione, 9,11-dichloro-6,21-difluoro-16,17-((1-methylethylidene)bis(oxy))(6.alpha.,11.beta.,16.alpha.)-

    23. Pregna-1,4-diene-3,20-dione, 9,11-dichloro-6,21-difluoro-16,17-((1-methylethylidene)bis(oxy))(6alpha,11beta,16alpha)-

    2.4 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 489.4 g/mol
    Molecular Formula C24H28Cl2F2O4
    XLogP35
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count2
    Exact Mass488.1332711 g/mol
    Monoisotopic Mass488.1332711 g/mol
    Topological Polar Surface Area52.6 Ų
    Heavy Atom Count32
    Formal Charge0
    Complexity966
    Isotope Atom Count0
    Defined Atom Stereocenter Count9
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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