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    Istaroxime

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 203737-93-3, Istaroxime, (e)-, Pst-2744, W40687go3s, (3e,5s,8r,9s,10r,13s,14s)-3-(2-aminoethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione, 203738-46-9
    Molecular Formula
    C21H32N2O3
    Molecular Weight
    360.5  g/mol
    InChI Key
    MPYLDWFDPHRTEG-PAAYLBSLSA-N
    FDA UNII
    W40687GO3S
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3E,5S,8R,9S,10R,13S,14S)-3-(2-aminoethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione
    2.1.2 InChI
    InChI=1S/C21H32N2O3/c1-20-7-5-13(23-26-10-9-22)11-17(20)18(24)12-14-15-3-4-19(25)21(15,2)8-6-16(14)20/h14-17H,3-12,22H2,1-2H3/b23-13+/t14-,15-,16-,17+,20+,21-/m0/s1
    2.1.3 InChI Key
    MPYLDWFDPHRTEG-PAAYLBSLSA-N
    2.1.4 Canonical SMILES
    CC12CCC(=NOCCN)CC1C(=O)CC3C2CCC4(C3CCC4=O)C
    2.1.5 Isomeric SMILES
    C[C@]12CC/C(=N\OCCN)/C[C@@H]1C(=O)C[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C
    2.2 Other Identifiers
    2.2.1 UNII
    W40687GO3S
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3-((2-aminoethoxy)imino)androstane-6,17-dione

    2. 3-((2-aminoethoxy)imino)androstane-6,17-dione Hydrochloride

    3. Pst 2744

    4. Pst-2744

    5. Pst2744

    2.3.2 Depositor-Supplied Synonyms

    1. 203737-93-3

    2. Istaroxime, (e)-

    3. Pst-2744

    4. W40687go3s

    5. (3e,5s,8r,9s,10r,13s,14s)-3-(2-aminoethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione

    6. 203738-46-9

    7. 3-((2-aminoethoxy)imino)-5alpha-androstan-6,17-dione

    8. Debio-0614

    9. Istaroxime [inn]

    10. Unii-w8i9h2tppl

    11. Pst 2744

    12. St-2744

    13. W8i9h2tppl

    14. Unii-w40687go3s

    15. Chembl469045

    16. Schembl7285904

    17. Dtxsid20870222

    18. Akos024259258

    19. Cs-1531

    20. Db06157

    21. Ac-36855

    22. As-78198

    23. Hy-15718

    24. 5-alpha-androstan-6,17-dione, 3-((2-aminoethoxy)imino)-

    25. Androstane-3,6,17-trione, 3-(o-(2-aminoethyl)oxime), (3e,5alpha)-

    26. Androstane-3,6,17-trione, 3-(o-(2-aminoethyl)oxime), (3e,5.alpha.)-

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 360.5 g/mol
    Molecular Formula C21H32N2O3
    XLogP31.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass360.24129289 g/mol
    Monoisotopic Mass360.24129289 g/mol
    Topological Polar Surface Area81.8 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity645
    Isotope Atom Count0
    Defined Atom Stereocenter Count6
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

    Investigated for use/treatment in heart disease.

    5 Pharmacology and Biochemistry
    5.1 Mechanism of Action

    Reduces the sodium-potassium adenosine triphosphatase (ATPase) activity and stimulates the sarcoplasmic calcium ATPase isoform 2 reuptake function.