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    Lysergic Acid

    ACTIVE PHARMA INGREDIENTS

    DIGITAL CONTENT

    MARKET PLACE

    PharmaCompass
    $ API Ref.Price (USD/KG) : 5,983Xls

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    2D Structure
    Also known as: Lysergic acid, 82-58-6, Ergoline acid, Ito20dao7j, D-lysergic acid, (+)-lysergic acid
    Molecular Formula
    C16H16N2O2
    Molecular Weight
    268.31  g/mol
    InChI Key
    ZAGRKAFMISFKIO-QMTHXVAHSA-N
    FDA UNII
    ITO20DAO7J
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylic acid
    2.1.2 InChI
    InChI=1S/C16H16N2O2/c1-18-8-10(16(19)20)5-12-11-3-2-4-13-15(11)9(7-17-13)6-14(12)18/h2-5,7,10,14,17H,6,8H2,1H3,(H,19,20)/t10-,14-/m1/s1
    2.1.3 InChI Key
    ZAGRKAFMISFKIO-QMTHXVAHSA-N
    2.1.4 Canonical SMILES
    CN1CC(C=C2C1CC3=CNC4=CC=CC2=C34)C(=O)O
    2.1.5 Isomeric SMILES
    CN1C[C@@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    ITO20DAO7J
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Acid, Lysergic

    2. Lysergic Acid

    2.3.2 Depositor-Supplied Synonyms

    1. Lysergic Acid

    2. 82-58-6

    3. Ergoline Acid

    4. Ito20dao7j

    5. D-lysergic Acid

    6. (+)-lysergic Acid

    7. (8r)-9,10-didehydro-6-methylergoline-8-carboxylic Acid

    8. Unii-ito20dao7j

    9. (6ar,9r)-7-methyl-6,6a,8,9-tetrahydro-4h-indolo[4,3-fg]quinoline-9-carboxylic Acid

    10. Einecs 201-431-9

    11. Lysergic Acid [mi]

    12. Schembl183687

    13. Ergoline-8-carboxylic Acid, 9,10-didehydro-6-methyl-, (8.beta.)-

    14. Chebi:6604

    15. Dea No. 7300

    16. Dtxsid60904515

    17. Zinc897016

    18. Pdsp2_000050

    19. Akos030240864

    20. 082l586

    21. Q415837

    22. Ergoline-8-carboxylic Acid, 9,10-didehydro-6-methyl-, (8beta)-

    23. (8.beta.)-9,10-didehydro-6-methylergoline-8-carboxylic Acid

    2.4 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 268.31 g/mol
    Molecular Formula C16H16N2O2
    XLogP30
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass268.121177757 g/mol
    Monoisotopic Mass268.121177757 g/mol
    Topological Polar Surface Area56.3 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity461
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1