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    Ryanodine

    DIGITAL CONTENT

    REF. STANDARDS & IMPURITIES

    PharmaCompass
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    2D Structure
    Also known as: Ryanodine, 15662-33-6, Chembl308183, Nsc114572, Ryanadol, Nsc-114572
    Molecular Formula
    C25H35NO9
    Molecular Weight
    493.5  g/mol
    InChI Key
    JJSYXNQGLHBRRK-UHFFFAOYSA-N
    A methylpyrrole-carboxylate from RYANIA that disrupts the RYANODINE RECEPTOR CALCIUM RELEASE CHANNEL to modify CALCIUM release from SARCOPLASMIC RETICULUM resulting in alteration of MUSCLE CONTRACTION. It was previously used in INSECTICIDES. It is used experimentally in conjunction with THAPSIGARGIN and other inhibitors of CALCIUM ATPASE uptake of calcium into SARCOPLASMIC RETICULUM.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2,6,9,11,13,14-hexahydroxy-3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl) 1H-pyrrole-2-carboxylate
    2.1.2 InChI
    InChI=1S/C25H35NO9/c1-12(2)22(31)17(34-16(28)14-7-6-10-26-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)8-9-20(18,24)29/h6-7,10,12-13,15,17,26-27,29-33H,8-9,11H2,1-5H3
    2.1.3 InChI Key
    JJSYXNQGLHBRRK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1CCC2(C3(CC4(C5(C(C(C3(C5(C2(C1O)O4)O)O)OC(=O)C6=CC=CN6)(C(C)C)O)C)O)C)O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Ryanodine

    2.2.2 Depositor-Supplied Synonyms

    1. Ryanodine

    2. 15662-33-6

    3. Chembl308183

    4. Nsc114572

    5. Ryanadol

    6. Nsc-114572

    7. Ryanodine Derivative

    8. 10-epi-hydroxy-ryanodine

    9. 3-(1h-pyrrole-2-carboxylate)

    10. Dtxsid20860168

    11. Bdbm50051434

    12. Db-043327

    13. Ft-0630429

    14. J-009322

    15. 4,6,7,8a,8b,9a-hexahydroxy-3,6a,9-trimethyl-7-(propan-2-yl)dodecahydro-6,9-methanobenzo[1,2]pentaleno[1,6-bc]furan-8-yl 1h-pyrrole-2-carboxylate

    2.3 Create Date
    2005-03-25
    3 Chemical and Physical Properties
    Molecular Weight 493.5 g/mol
    Molecular Formula C25H35NO9
    XLogP3-0.5
    Hydrogen Bond Donor Count7
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count4
    Exact Mass493.23118169 g/mol
    Monoisotopic Mass493.23118169 g/mol
    Topological Polar Surface Area173 Ų
    Heavy Atom Count35
    Formal Charge0
    Complexity1010
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count11
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1