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Technical details about Cerlapirdine, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: Sam-531, 925448-93-7, Way-262531, Pf-05212365, Cerlapirdine [usan], N,n-dimethyl-3-[(3-naphthalen-1-ylsulfonyl-2h-indazol-5-yl)oxy]propan-1-amine
Molecular Formula
C22H23N3O3S
Molecular Weight
409.5  g/mol
InChI Key
NXQGEDVQXVTCDA-UHFFFAOYSA-N
FDA UNII
EK40PJ0V49

Cerlapirdine has been investigated for the treatment of Alzheimer Disease.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N,N-dimethyl-3-[(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)oxy]propan-1-amine
2.1.2 InChI
InChI=1S/C22H23N3O3S/c1-25(2)13-6-14-28-17-11-12-20-19(15-17)22(24-23-20)29(26,27)21-10-5-8-16-7-3-4-9-18(16)21/h3-5,7-12,15H,6,13-14H2,1-2H3,(H,23,24)
2.1.3 InChI Key
NXQGEDVQXVTCDA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN(C)CCCOC1=CC2=C(NN=C2C=C1)S(=O)(=O)C3=CC=CC4=CC=CC=C43
2.2 Other Identifiers
2.2.1 UNII
EK40PJ0V49
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Sam-531

2. Way-262531

2.3.2 Depositor-Supplied Synonyms

1. Sam-531

2. 925448-93-7

3. Way-262531

4. Pf-05212365

5. Cerlapirdine [usan]

6. N,n-dimethyl-3-[(3-naphthalen-1-ylsulfonyl-2h-indazol-5-yl)oxy]propan-1-amine

7. Sam-531 Free Base

8. Ek40pj0v49

9. 925448-93-7 (free Base)

10. Cerlapirdine (usan)

11. Way-262,531

12. N,n-dimethyl-3-((3-(naphthalen-1-ylsulfonyl)-2h-indazol-5-yl)oxy)propan-1-amine

13. Cerlapirdine [usan:inn]

14. Unii-ek40pj0v49

15. Sam531

16. Sam 531

17. Pf-5212365

18. Cerlapirdine [inn]

19. Cerlapirdine [who-dd]

20. Gtpl7356

21. Schembl3534330

22. Chembl2103880

23. Schembl21381542

24. Dtxsid201137232

25. Db12229

26. Hy-14431

27. Cs-0003354

28. D10099

29. Q5064514

30. Dimethyl-{3-[3-(naphthalene-1-sulfonyl)-1h-indazol-5-yloxy]-propyl}-amine

31. 1-propanamine, N,n-dimethyl-3-((3-(1-naphthalenylsulfonyl)-1h-indazol-5-yl)oxy)-

32. N,n-dimethyl-3-((3-((naphthalen-1-yl)sulfonyl)-1h-indazol-5-yl)oxy)propan-1-amine

33. N,n-dimethyl-3-((3-(1-naphthylsulfonyl)-1h-indazol-5-yl)oxy)propan-1-amine

34. N,n-dimethyl-3-((3-(naphthalen-1-ylsulfonyl)-1h-indazol-5-yl)oxy)propan-1-amine

2.4 Create Date
2007-06-04
3 Chemical and Physical Properties
Molecular Weight 409.5 g/mol
Molecular Formula C22H23N3O3S
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass409.14601278 g/mol
Monoisotopic Mass409.14601278 g/mol
Topological Polar Surface Area83.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity636
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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