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    Technical details about Elymoclavine, learn more about the structure, uses, toxicity, action, side effects and more

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    Elymoclavine

    APIs // Active Pharmaceutical Ingredients

    PRICE INFORMATION

    PharmaCompass

    Symbiotec: Global API manufacturer, specializing in Cortico-Steroids & Steroid-Hormone APIs.

    Metrochem has been delivering customized volume & quality products to customers across the world, taking utmost care of their needs.

    2D Structure
    1. Also known as: 548-43-6, 8,9-didehydro-6-methylergoline-8-methanol, 5lr46dlo0d, Elimoclavin, ((6ar,10ar)-7-methyl-4,6,6a,7,8,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)methanol, [(6ar,10ar)-7-methyl-6,6a,8,10a-tetrahydro-4h-indolo[4,3-fg]quinolin-9-yl]methanol
    Molecular Formula
    C16H18N2O
    Molecular Weight
    254.33  g/mol
    InChI Key
    DAVNRFCJMIONPO-UKRRQHHQSA-N
    FDA UNII
    5LR46DLO0D
    elymoclavine is a natural product found in Jacquemontia tamnifolia, Ipomoea muricata, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(6aR,10aR)-7-methyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol
    2.1.2 InChI
    InChI=1S/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,13,15,17,19H,6,8-9H2,1H3/t13-,15-/m1/s1
    2.1.3 InChI Key
    DAVNRFCJMIONPO-UKRRQHHQSA-N
    2.1.4 Canonical SMILES
    CN1CC(=CC2C1CC3=CNC4=CC=CC2=C34)CO
    2.1.5 Isomeric SMILES
    CN1CC(=C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CO
    2.2 Other Identifiers
    2.2.1 UNII
    5LR46DLO0D
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Elymoclavine Hydrochloride

    2. Elymoklavine

    2.3.2 Depositor-Supplied Synonyms

    1. 548-43-6

    2. 8,9-didehydro-6-methylergoline-8-methanol

    3. 5lr46dlo0d

    4. Elimoclavin

    5. ((6ar,10ar)-7-methyl-4,6,6a,7,8,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)methanol

    6. [(6ar,10ar)-7-methyl-6,6a,8,10a-tetrahydro-4h-indolo[4,3-fg]quinolin-9-yl]methanol

    7. Spectrum5_001634

    8. Unii-5lr46dlo0d

    9. Nsc-109431

    10. Einecs 208-948-9

    11. Nsc 109431

    12. Brn 0030650

    13. Elymoclavine [mi]

    14. 4-23-00-02716 (beilstein Handbook Reference)

    15. Schembl183704

    16. Spectrum1800052

    17. Chebi:4777

    18. Chembl3706997

    19. Dtxsid70970145

    20. Zinc896007

    21. C06068

    22. Methanol, (8,9-didehydro-6-methylergolin-8-yl)-

    23. Q5368476

    24. [(2r,7r)-6-methyl-6,11-diazatetracyclo[7.6.1.0?,?.0??,??]hexadeca-1(16),3,9,12,14-pentaen-4-yl]methanol

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 254.33 g/mol
    Molecular Formula C16H18N2O
    XLogP31.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass254.141913202 g/mol
    Monoisotopic Mass254.141913202 g/mol
    Topological Polar Surface Area39.3 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity394
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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