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    Chemistry

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    Also known as: 207679-81-0, (r)-5-hydroxymethyl tolterodine, 5-hydroxymethyl tolterodine, (r)-2-(3-(diisopropylamino)-1-phenylpropyl)-4-(hydroxymethyl)phenol, Pnu-200577, 5-hydroxymethyltolterodine
    Molecular Formula
    C22H31NO2
    Molecular Weight
    341.5  g/mol
    InChI Key
    DUXZAXCGJSBGDW-HXUWFJFHSA-N
    FDA UNII
    YU871O78GR
    Desfesoterodine
    Desfesoterodine is a metabolite of [tolterodine].
    1 2D Structure

    Desfesoterodine

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol
    2.1.2 InChI
    InChI=1S/C22H31NO2/c1-16(2)23(17(3)4)13-12-20(19-8-6-5-7-9-19)21-14-18(15-24)10-11-22(21)25/h5-11,14,16-17,20,24-25H,12-13,15H2,1-4H3/t20-/m1/s1
    2.1.3 InChI Key
    DUXZAXCGJSBGDW-HXUWFJFHSA-N
    2.1.4 Canonical SMILES
    CC(C)N(CCC(C1=CC=CC=C1)C2=C(C=CC(=C2)CO)O)C(C)C
    2.1.5 Isomeric SMILES
    CC(C)N(CC[C@H](C1=CC=CC=C1)C2=C(C=CC(=C2)CO)O)C(C)C
    2.2 Other Identifiers
    2.2.1 UNII
    YU871O78GR
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (r)-n,n-diisopropyl-3-(2-hydroxy-5-hydroxymethylphenyl)-3-phenylpropanamine

    2. 5-hydroxymethyl Tolterodine

    3. Pnu 200577

    4. Pnu-200577

    2.3.2 Depositor-Supplied Synonyms

    1. 207679-81-0

    2. (r)-5-hydroxymethyl Tolterodine

    3. 5-hydroxymethyl Tolterodine

    4. (r)-2-(3-(diisopropylamino)-1-phenylpropyl)-4-(hydroxymethyl)phenol

    5. Pnu-200577

    6. 5-hydroxymethyltolterodine

    7. Desfesoterodine [inn]

    8. 5-hmt

    9. Pnu 200577

    10. 3-[(1r)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-hydroxybenzenemethanol

    11. 5-hydroxymethyl Tolterodine (pnu 200577, 5-hmt, 5-hm)

    12. Spm 7605

    13. Yu871o78gr

    14. (+)-n,n-diisopropyl-3-(2-hydroxy-5-hydroxymethylphenyl)-3-phenylpropylamine

    15. 207679-81-0 (free Base)

    16. Benzenemethanol, 3-[(1r)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-hydroxy-

    17. Desfesoterodine (inn)

    18. (r)-(+)-2-(3-diisopropylamino-1-phenylpropyl)-4-hydroxymethylphenol

    19. Benzenemethanol, 3-((1r)-3-(bis(1-methylethyl)amino)-1-phenylpropyl)-4-hydroxy-

    20. 2-[(1r)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol

    21. Unii-yu871o78gr

    22. Desfesoterodin

    23. R-5-hydroxymethyl Tolterodine

    24. 5-hm

    25. (r)-2-[3-(diisopropylamino)-1-phenylpropyl]-4-(hydroxymethyl)phenol

    26. 5-hydroxymethyl-tolterodine

    27. Intermediate Of Fesoterodine

    28. Schembl209062

    29. (r)-5-hydroxymethyltolterodine

    30. Zinc6047

    31. Chembl3348932

    32. Desfesoterodine [who-dd]

    33. Dtxsid40431319

    34. Chebi:177454

    35. Dd 01

    36. Hms3884p12

    37. Bcp02922

    38. Spm-7605

    39. Mfcd09264524

    40. Pnu200577

    41. S2659

    42. Akos005146249

    43. Akos015841720

    44. Ccg-267936

    45. Cs-0825

    46. Db15578

    47. Ncgc00346585-01

    48. Ac-23943

    49. Bs-15813

    50. Hy-76569

    51. Bcp0726000296

    52. 5-hydroxymethyl Tolterodine (pnu 200577)

    53. 5-hydroxymethyl Tolterodine - Pnu 200577

    54. Sw219846-1

    55. D10853

    56. F31141

    57. 264h524

    58. J-013606

    59. Q27294711

    60. (r)-2-(3-diisopropylamino-1-phenylpropyl)-4-hydroxy Methyl Phenol

    61. (r)-2-(3-diisopropylamino-1-phenylpropyl)-4-hydroxy Methylphenol

    62. (r)-2-(3-diisopropylamino-1-phenylpropyl)-4-hydroxymethylphenol

    63. (r)-4-hydroxymethyl-2-(3-diisopropylamino-1-phenylpropyl)-phenol

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 341.5 g/mol
    Molecular Formula C22H31NO2
    XLogP34.4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count8
    Exact Mass341.235479232 g/mol
    Monoisotopic Mass341.235479232 g/mol
    Topological Polar Surface Area43.7 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity357
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 ATC Code

    G - Genito urinary system and sex hormones

    G04 - Urologicals

    G04B - Urologicals

    G04BD - Drugs for urinary frequency and incontinence

    G04BD13 - Desfesoterodine

    4.2 Metabolism/Metabolites

    5-Hydroxymethyl tolterodine is a known human metabolite of tolterodine.

    S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560

    API Reference Price

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    04-Jan-2021
    23-Sep-2024
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