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Also known as: 200801-70-3, 2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol, Dtxsid80432981, 2-{3-[di(propan-2-yl)amino]-1-phenylpropyl}-4-(hydroxymethyl)phenol, Refchem:1061044, Dtxcid40383809
Molecular Formula
C22H31NO2
Molecular Weight
341.5  g/mol
InChI Key
DUXZAXCGJSBGDW-UHFFFAOYSA-N

CAS 200801-70-3
1 2D Structure

CAS 200801-70-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[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
2.1.3 InChI Key
DUXZAXCGJSBGDW-UHFFFAOYSA-N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 200801-70-3

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

3. Dtxsid80432981

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

5. Refchem:1061044

6. Dtxcid40383809

7. 2-(3-(diisopropylamino)-1-phenylpropyl)-4-(hydroxymethyl)phenol

8. Rac 5-hydroxymethyl Tolterodine

9. (rac)-5-hydroxymethyl Tolterodine

10. Mfcd09840742

11. Rac 5-hydroxymethyl Tolterodine, 90% By Hplc

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

13. 2-[3-(diisopropylamino)-1-phenylpropyl]-4-(hydroxymethyl)phenol

14. 2-{3-[bis(propan-2-yl)amino]-1-phenylpropyl}-4-(hydroxymethyl)phenol

15. 3-[3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-hydroxybenzenemethanol

16. Duxzaxcgjsbgdw-uhfffaoysa-n

17. Schembl580657

18. (rac)-pnu-200577

19. Hms3656f09

20. Hms5081f13

21. Aia80170

22. Cs-m1035

23. Akos022182757

24. Rac 5-hydroxymethyl Tolterodine By Hplc

25. As-73207

26. Da-59632

27. Hy-76570

28. Sy249783

29. Tolterodine 5-hydroxymethyl Analog Racemate

30. C11364

31. En300-18702853

32. F798957

33. Z2574924591

34. 2-(3-diisopropylamino-1-phenylpropyl)-4-hydroxymethylphenol

35. 2-(3-diisopropylamino-1-phenyl-propyl)-4-hydroxymethylphenol

36. (+/-)-2-(3-diisopropylamino-1-phenyl-propyl)-4-hydroxymethylphenol

37. (+/-)-2-(3-diisopropylamino-1-phenylpropyl)-4-hydroxymethyl-phenol

38. (+/-)-2-(3-diisopropylamino-1-phenylpropyl)-4-hydroxymethylphenol

39. 2-[3-(diisopropylamino)-1-phenyl-propyl]-4-(hydroxymethyl)phenol

40. (+/-)-2-(3-diisopropylamino-1-phenyl Propyl)-4-hydroxy Methyl Phenol

41. N,n-diisopropyl-3-(2-hydroxy-5-hydroxymethylphenyl)-3-phenylpropan-1-amine

2.3 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 Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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