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    Olesoxime

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
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    2D Structure
    Also known as: Olesoxime, e-, 66538-08-7, Tro 19622, Olesoxime, 8v8ef6094n, 22033-87-0
    Molecular Formula
    C27H45NO
    Molecular Weight
    399.7  g/mol
    InChI Key
    QNTASHOAVRSLMD-SIWSWZRQSA-N
    FDA UNII
    8V8EF6094N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (NE)-N-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]hydroxylamine
    2.1.2 InChI
    InChI=1S/C27H45NO/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28-29)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25,29H,6-16H2,1-5H3/b28-21+/t19-,22+,23-,24+,25+,26+,27-/m1/s1
    2.1.3 InChI Key
    QNTASHOAVRSLMD-SIWSWZRQSA-N
    2.1.4 Canonical SMILES
    CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4=CC(=NO)CCC34C)C
    2.1.5 Isomeric SMILES
    C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C/C(=N/O)/CC[C@]34C)C
    2.2 Other Identifiers
    2.2.1 UNII
    8V8EF6094N
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Olesoxime

    2. Tro19622

    2.3.2 Depositor-Supplied Synonyms

    1. Olesoxime, E-

    2. 66538-08-7

    3. Tro 19622

    4. Olesoxime

    5. 8v8ef6094n

    6. 22033-87-0

    7. (ne)-n-[(8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]hydroxylamine

    8. Tro-19622

    9. Unii-8v8ef6094n

    10. Z-olesoxime

    11. Nsc-21311

    12. Olesoxime (usan/inn)

    13. Olesoxime (tro 19622)

    14. Gtpl8542

    15. Schembl18870340

    16. Qntashoavrslmd-siwswzrqsa-

    17. Zinc34035621

    18. D11213

    19. J-014436

    20. Q7086437

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 399.7 g/mol
    Molecular Formula C27H45NO
    XLogP38.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count5
    Exact Mass399.350115059 g/mol
    Monoisotopic Mass399.350115059 g/mol
    Topological Polar Surface Area32.6 Ų
    Heavy Atom Count29
    Formal Charge0
    Complexity663
    Isotope Atom Count0
    Defined Atom Stereocenter Count7
    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

    Treatment of spinal muscular atrophy

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