List of Drug Master Files (DMF) of Desfesoterodine Active Pharmaceutical Ingredient listed on PharmaCompass.com

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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
29-Aug-2024
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