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    Lenabasum

    DEVELOPMENTS

    DIGITAL CONTENT

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    2D Structure
    Also known as: Lenabasum, 137945-48-3, Resunab, Ct-3, Ip-751, Cpl-7075
    Molecular Formula
    C25H36O4
    Molecular Weight
    400.5  g/mol
    InChI Key
    YCHYFHOSGQABSW-RTBURBONSA-N
    FDA UNII
    OGN7X90BT8
    ajulemic acid is a natural product found in Cannabis sativa with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (6aR,10aR)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid
    2.1.2 InChI
    InChI=1S/C25H36O4/c1-6-7-8-9-12-24(2,3)17-14-20(26)22-18-13-16(23(27)28)10-11-19(18)25(4,5)29-21(22)15-17/h10,14-15,18-19,26H,6-9,11-13H2,1-5H3,(H,27,28)/t18-,19-/m1/s1
    2.1.3 InChI Key
    YCHYFHOSGQABSW-RTBURBONSA-N
    2.1.4 Canonical SMILES
    CCCCCCC(C)(C)C1=CC(=C2C3CC(=CCC3C(OC2=C1)(C)C)C(=O)O)O
    2.1.5 Isomeric SMILES
    CCCCCCC(C)(C)C1=CC(=C2[C@@H]3CC(=CC[C@H]3C(OC2=C1)(C)C)C(=O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    OGN7X90BT8
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (6ar,10ar)-1-hydroxy-6,6-dimethyl-3-(2-methyl-2-octanyl)-6a,7,8,10a-tetrahydro-6h-benzo(c)chromene-9-carboxylic Acid

    2. Ip 751

    3. Ip-751

    4. Lenabasum

    5. Resunab

    2.3.2 Depositor-Supplied Synonyms

    1. Lenabasum

    2. 137945-48-3

    3. Resunab

    4. Ct-3

    5. Ip-751

    6. Cpl-7075

    7. Ip 751

    8. Cpl7075

    9. Jbt-101

    10. (6ar,10ar)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromene-9-carboxylic Acid

    11. Hu-239

    12. Lenabasum [usan]

    13. Ogn7x90bt8

    14. 6h-dibenzo(b,d)pyran-9-carboxylic Acid, 3-(1,1-dimethylheptyl)-6a,7,10,10a-tetrahydro-1-hydroxy-6,6-dimethyl-, (6ar,10ar)-

    15. (6ar,10ar)-3-(1,1-dimethylheptyl)-1-hydroxy-6,6-dimethyl-6a,7,10,10a-tetrahydro-6h-benzo[c]chromene-9-carboxylic Acid

    16. Unii-ogn7x90bt8

    17. Dmh-thc-11-oic

    18. Ab-iii-56

    19. Ct 3

    20. (6ar,10ar)-3-(1,1-dimethylheptyl)-1-hydroxy-6,6-dimethyl-6a,7,10,10a-tetrahydro-6h-benzo(c)chromene-9-carboxylic Acid

    21. Cpl 7075

    22. Lenabasum [inn]

    23. Lenabasum (usan/inn)

    24. Ajulemic Acid [mi]

    25. Lenabasum [who-dd]

    26. Schembl26441

    27. Chembl456341

    28. Gtpl9772

    29. Dtxsid40900959

    30. Ip751

    31. 1',1'-dimethylheptyl-delta-8-tetrahydrocannabinol-11-oic Acid

    32. Bcp15191

    33. Ex-a3627

    34. Zinc1905712

    35. Bdbm50005920

    36. Db12193

    37. (6ar,10ar)-1-hydroxy-6,6-dimethyl-3-(2-methyl-2-octanyl)-6a,7,8,10a-tetrahydro-6h-benzo(c)chromene-9-carboxylic Acid

    38. 6h-dibenzo(b,d)pyran-9-carboxylic Acid, 3-(1,1-dimethylheptyl)-6a,7,10,10a-tetrahydro-1-hydroxy-6,6-dimethyl-, (6ar,10ar)

    39. Aja

    40. Hy-106346

    41. Cs-0025624

    42. D11312

    43. 945a483

    44. A935712

    45. Q3604498

    46. (6ar, 10ar)-3-(1,1-dimethylheptyl)-delta8-tetrahydro-cannabinol-9-carboxylic Acid

    47. (6ar, 10ar)-3-(1',1'-dimethylheptyl)-delta-8-tetrahydro-cannabinol-9-carboxylic Acid

    48. 6h-dibenzo(b,d)pyran-9-carboxylic Acid, 3-(1,1-dimethylheptyl)-6a,7,10,10a-tetrahydro-1-hydroxy-6,6-dimethyl-, (6ar-trans)-

    49. Ajulemic Acid; Ct-3; Ip-751; 1',1'-dimethylheptyl-delta8-tetrahydrocannabinol-11-oic Acid

    2.4 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 400.5 g/mol
    Molecular Formula C25H36O4
    XLogP37
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count7
    Exact Mass400.26135963 g/mol
    Monoisotopic Mass400.26135963 g/mol
    Topological Polar Surface Area66.8 Ų
    Heavy Atom Count29
    Formal Charge0
    Complexity620
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Cannabinoid Receptor Agonists

    Compounds that interact with and stimulate the activity of CANNABINOID RECEPTORS. (See all compounds classified as Cannabinoid Receptor Agonists.)