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    Desmetramadol

    DEVELOPMENTS

    DIGITAL CONTENT

    ANALYTICAL

    PharmaCompass
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    2D Structure
    Also known as: O-desmethyl tramadol, (+)-o-desmethyltramadol, 80456-81-1, Desmetramadol, Mono-o-demethyltramadol, (+)-o-demethyltramadol
    Molecular Formula
    C15H23NO2
    Molecular Weight
    249.35  g/mol
    InChI Key
    UWJUQVWARXYRCG-HIFRSBDPSA-N
    FDA UNII
    9W28LW2ET5
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]phenol
    2.1.2 InChI
    InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1
    2.1.3 InChI Key
    UWJUQVWARXYRCG-HIFRSBDPSA-N
    2.1.4 Canonical SMILES
    CN(C)CC1CCCCC1(C2=CC(=CC=C2)O)O
    2.1.5 Isomeric SMILES
    CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    9W28LW2ET5
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. O-demethyl Tramadol

    2. O-demethyltramadol

    3. O-demethyltramadol Hydrochloride

    4. Tramadol M1 Metabolite

    2.3.2 Depositor-Supplied Synonyms

    1. O-desmethyl Tramadol

    2. (+)-o-desmethyltramadol

    3. 80456-81-1

    4. Desmetramadol

    5. Mono-o-demethyltramadol

    6. (+)-o-demethyltramadol

    7. Desmetramadol, Cis-(+)-

    8. Chembl1400

    9. Desmetramadol, R,r-(+)-

    10. 2wa8f50c3f

    11. 9w28lw2et5

    12. 3-((1r,2r)-2-((dimethylamino)methyl)-1-hydroxycyclohexyl)phenol

    13. Phenol, 3-(2-((dimethylamino)methyl)-1-hydroxycyclohexyl)-, Cis-(+/-)-

    14. 144830-14-8

    15. O-dsmt

    16. Chembl201556

    17. Phenol, 3-((1r,2r)-2-((dimethylamino)methyl)-1-hydroxycyclohexyl)-

    18. 3-[(1r,2r)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]phenol

    19. Phenol, 3-(2-((dimethylamino)methyl)-1-hydroxycyclohexyl)-, (1r-cis)-

    20. Tramadol M1 Metabolite

    21. Unii-2wa8f50c3f

    22. 3-{(1r,2r)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl}phenol

    23. Desmetramadol [inn]

    24. Unii-9w28lw2et5

    25. Desmetramadol [who-dd]

    26. Schembl2517055

    27. Chebi:165221

    28. Dtxsid401044548

    29. Dtxsid901313651

    30. 80456-81-1 (free Base)

    31. Zinc2509756

    32. Bdbm50176258

    33. Bdbm50176263

    34. Akos030241093

    35. Ncgc00165941-01

    36. Q63395330

    37. Tramadol Hydrochloride Impurity D [ep Impurity]

    38. 3-[(1r,2r)-2-[(dimethylamino)methyl]-1-hydroxy-cyclohexyl]phenol

    39. (rr,ss)-3-(2-((dimethylamino)methyl)-1-hydroxycyclohexyl)phenol

    40. Rel-3-((1r,2r)-2-((dimethylamino)methyl)-1-hydroxycyclohexyl)phenol

    41. Phenol, 3-((1r,2r)-2-((dimethylamino)methyl)-1-hydroxycyclohexyl)-, Rel-

    42. Rac-3-((1r,2r)-2-((dimethylamino)methyl)-1-hydroxycyclohexyl)phenolc

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 249.35 g/mol
    Molecular Formula C15H23NO2
    XLogP32.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass249.172878976 g/mol
    Monoisotopic Mass249.172878976 g/mol
    Topological Polar Surface Area43.7 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity269
    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

    Analgesics, Opioid

    Compounds with activity like OPIATE ALKALOIDS, acting at OPIOID RECEPTORS. Properties include induction of ANALGESIA or NARCOSIS. (See all compounds classified as Analgesics, Opioid.)