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

Desfesoterodine is a metabolite of [tolterodine].
1 2D Structure

2D Structure

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
2.2 Other Identifiers
2.2.1 UNII
YU871O78GR
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 207679-81-0

2. (r)-5-hydroxymethyl Tolterodine

3. 5-hydroxymethyltolterodine

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

5. Pnu-200577

6. Desfesoterodine [inn]

7. Yu871o78gr

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

9. Desfesoterodine (inn)

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

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

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

13. Spm 7605

14. Desfesoterodine [who-dd]

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

16. 2-[(1r)-3-[bis(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol

17. Desfesoterodina

18. Desfesoterodinum

19. 2-((1r)-3-(bis(propan-2-yl)amino)-1-phenylpropyl)-4-(hydroxymethyl)phenol

20. Refchem:585794

21. G04bd13

22. 2-((1s)-3-(bis(propan-2-yl)amino)-1-phenylpropyl)-4-(hydroxymethyl)phenol

23. 2-[(1s)-3-[bis(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol

24. 801-894-2

25. 929-946-0

26. 5-hydroxymethyl Tolterodine

27. Unii-yu871o78gr

28. 3-[(1r)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-hydroxybenzenemethanol

29. 5-hydroxymethyl Tolterodine (pnu 200577, 5-hmt, 5-hm)

30. Spm-7605

31. 2-[(1r)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol

32. Pnu 200577

33. Desfesoterodin

34. 2-{(1r)-3-[di(propan-2-yl)amino]-1-phenylpropyl}-4-(hydroxymethyl)phenol

35. 207679-81-0 (free Base)

36. Mfcd09264524

37. Desfesoterodine (standard)

38. 5-hydroxymethyl-tolterodine

39. Intermediate Of Fesoterodine

40. Fesoterodine Diol (r)-isomer

41. Schembl209062

42. (r)-5-hydroxymethyltolterodine

43. Orb1686400

44. Chembl3348932

45. Schembl29468683

46. Dtxsid40431319

47. Chebi:177454

48. Duxzaxcgjsbgdw-hxuwfjfhsa-n

49. Dd 01

50. Hms3884p12

51. Hy-76569r

52. S2659

53. 2-[(1r)-3-(diisopropylamino)-1-phenyl-propyl]-4-(hydroxymethyl)phenol

54. Akos005146249

55. Akos015841720

56. Ccg-267936

57. Cs-0825

58. Db15578

59. Fh24399

60. Ncgc00346585-01

61. Ac-23943

62. Bs-15813

63. Hy-76569

64. 5-hydroxymethyl Tolterodine (pnu 200577)

65. Ns00116425

66. Sw219846-1

67. D10853

68. F31141

69. Brd-k24603946-001-02-1

70. Brd-k24603946-001-03-9

71. Fesoterodine Diol; Tolterodine 5-hydroxymethyl Analog

72. Q27294711

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

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

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

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

77. (r)-n,n-diisopropyl-3-(2-hydroxy-5-hydroxymethylphenyl)-3-phenylpropan-1-amine

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 Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area43.7
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


ATCvet Code

QG - Genito urinary system and sex hormones

QG04 - Urologicals

QG04B - Urologicals

QG04BD - Drugs for urinary frequency and incontinence

QG04BD13 - 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