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    Also known as: Coltramyl, Thiocolchicine glycoside, Coltrax, Miorel, N-[1,2-dimethoxy-10-methylsulfanyl-9-oxo-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6,7-dihydro-5h-benzo[a]heptalen-7-yl]acetamide, Nsc624673
    Molecular Formula
    C27H33NO10S
    Molecular Weight
    563.6  g/mol
    InChI Key
    LEQAKWQJCITZNK-MSQQGMGVSA-N
    Thiocolchicoside
    1 2D Structure

    Thiocolchicoside

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[1,2-dimethoxy-10-methylsulfanyl-9-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
    2.1.2 InChI
    InChI=1S/C27H33NO10S/c1-12(30)28-16-7-5-13-9-18(37-27-24(34)23(33)22(32)19(11-29)38-27)25(35-2)26(36-3)21(13)14-6-8-20(39-4)17(31)10-15(14)16/h6,8-10,16,19,22-24,27,29,32-34H,5,7,11H2,1-4H3,(H,28,30)/t16?,19-,22-,23+,24-,27-/m1/s1
    2.1.3 InChI Key
    LEQAKWQJCITZNK-MSQQGMGVSA-N
    2.1.4 Canonical SMILES
    CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC4C(C(C(C(O4)CO)O)O)O
    2.1.5 Isomeric SMILES
    CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 2,14-di-(demethoxy)-2-glucosidoxy-14- Methylthiocolchicine

    2. Coltramyl

    3. Miorel

    4. Myoplge

    5. Thiocolchicoside

    2.2.2 Depositor-Supplied Synonyms

    1. Coltramyl

    2. Thiocolchicine Glycoside

    3. Coltrax

    4. Miorel

    5. N-[1,2-dimethoxy-10-methylsulfanyl-9-oxo-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6,7-dihydro-5h-benzo[a]heptalen-7-yl]acetamide

    6. Nsc624673

    7. 2-demethoxy-2-glucosidoxythiocolchicine

    8. Nsc-147755

    9. Thiocolchicoside-d3

    10. Prestwick_875

    11. Prestwick0_000539

    12. Prestwick1_000539

    13. Prestwick2_000539

    14. Prestwick3_000539

    15. Bspbio_000557

    16. Mls002153865

    17. 602-41-5 (unlabeled)

    18. Schembl719194

    19. Spbio_002478

    20. Bpbio1_000613

    21. Chembl1705373

    22. Chebi:91529

    23. Hms1569l19

    24. Hms2096l19

    25. Hms2234k08

    26. Bdbm50248250

    27. N-[1,2-dimethoxy-10-methylsulfanyl-9-oxo-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7-dihydro-5h-benzo[a]heptalen-7-yl]acetamide

    28. Smr001233221

    29. Sr-01000841233

    30. Q1165293

    31. Sr-01000841233-2

    32. Brd-a11605036-001-03-2

    33. N-(3-(hexopyranosyloxy)-1,2-dimethoxy-10-(methylthio)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide

    2.3 Create Date
    2005-08-01
    3 Chemical and Physical Properties
    Molecular Weight 563.6 g/mol
    Molecular Formula C27H33NO10S
    XLogP3-0.4
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count7
    Exact Mass563.18251742 g/mol
    Monoisotopic Mass563.18251742 g/mol
    Topological Polar Surface Area189 Ų
    Heavy Atom Count39
    Formal Charge0
    Complexity1010
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    API Reference Price

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    11-Jan-2021
    30-Aug-2024
    KGS
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    Average Price (USD/KGS)

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    (KGS)    		 Average Price
    (USD/KGS)    		 Number of Transactions

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