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    Cebranopadol

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 863513-91-1, Grt6005, Grt-6005, Grt 6005, 863513-93-3, 7gdw9s3gn3
    Molecular Formula
    C24H27FN2O
    Molecular Weight
    378.5  g/mol
    InChI Key
    CSMVOZKEWSOFER-UHFFFAOYSA-N
    FDA UNII
    7GDW9S3GN3
    Cebranopadol is an orally available benzenoid that acts as an opioid peptide receptor agonist for the nociceptin/orphanin FQ peptide receptor (opioid receptor like -1; OPRL1; ORL-1; NOP; kappa-type 3 opioid receptor) and the classical opioid receptors, mu, delta and kappa, with potential anti-nociceptive activity. Upon oral administration, cebranopadol binds to NOP and the mu, delta and kappa opioid receptors, which enhances NOP- and opioid receptor-mediated signaling, interferes with the sensation of pain and results in an analgesic effect. NOP, a member of the opioid receptor family, and its endogenous ligand nociceptin play key roles in the regulation of various brain activities including pain, and some inflammatory and immune responses.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-fluoro-N,N-dimethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine
    2.1.2 InChI
    InChI=1S/C24H27FN2O/c1-27(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(25)8-9-21(20)26-22/h3-9,16,26H,10-15H2,1-2H3
    2.1.3 InChI Key
    CSMVOZKEWSOFER-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN(C)C1(CCC2(CC1)C3=C(CCO2)C4=C(N3)C=CC(=C4)F)C5=CC=CC=C5
    2.2 Other Identifiers
    2.2.1 UNII
    7GDW9S3GN3
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 6'-fluoro-4',9'-dihydro-n,n-dimethyl-4-phenylspiro(cyclohexane-1,1'(3'h)-pyrano(3,4-b)indol)-4-amine

    2.3.2 Depositor-Supplied Synonyms

    1. 863513-91-1

    2. Grt6005

    3. Grt-6005

    4. Grt 6005

    5. 863513-93-3

    6. 7gdw9s3gn3

    7. Cebranopadol ((1alpha,4alpha)stereoisomer)

    8. 863513-91-1 (free Base)

    9. (1r,4r)-6'-fluoro-n,n-dimethyl-4-phenyl-4',9'-dihydro-3'h-spiro[cyclohexane-1,1'-pyrano[3,4-b]indol]-4-amine

    10. 6-fluoro-n,n-dimethyl-1'-phenylspiro[4,9-dihydro-3h-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine

    11. Spiro(cyclohexane-1,1'(3'h)-pyrano(3,4-b)indol)-4-amine, 6'-fluoro-4',9'-dihydro-n,n-dimethyl-4-phenyl-, Trans-

    12. Trans-6'-fluoro-n,n-dimethyl-4-phenyl-4',9''-dihydro-3'h-spiro(cyclohexane-1,1'-pyrano(3,4-b)indol)-4-amine

    13. 6-fluoro-n,n-dimethyl-1'-phenyl-spiro[4,9-dihydro-3h-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine

    14. Cebranopadol [inn]

    15. Cebranopadol [usan:inn]

    16. Unii-7gdw9s3gn3

    17. Cebranopadol (usan/inn)

    18. Cebranopadol [usan]

    19. Cebranopadol(grt-6005)

    20. Schembl154336

    21. Schembl566256

    22. Gtpl8866

    23. Chembl2364605

    24. Chembl3545616

    25. Chembl3962932

    26. Schembl10035739

    27. Schembl14183935

    28. Schembl19336241

    29. Bdbm177926

    30. Dtxsid001031965

    31. Bcp09612

    32. Ex-a1095

    33. Zinc3950145

    34. Bdbm50101095

    35. Bdbm50101112

    36. Bdbm50533342

    37. Akos025290738

    38. Cs-1323

    39. Db12830

    40. Sb16531

    41. Ncgc00378895-01

    42. Ncgc00378895-02

    43. Ac-36077

    44. As-35183

    45. Hy-15536

    46. Ft-0774945

    47. D10436

    48. Us9120797, 24

    49. Us9120797, 25

    50. Q19596315

    51. (1r,4r)-6'-fluoro-n,n-dimethyl-4-phenyl-4',9'-dihydro-3'h-spiro[cyclohexane-1,1'-pyrano[3,4-b]indole]-4-amine

    2.4 Create Date
    2006-11-06
    3 Chemical and Physical Properties
    Molecular Weight 378.5 g/mol
    Molecular Formula C24H27FN2O
    XLogP34.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass378.21074165 g/mol
    Monoisotopic Mass378.21074165 g/mol
    Topological Polar Surface Area28.3 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity553
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

    Treatment of chronic pain