CAS 603148-36-3

Chemistry

Chemistry

Also known as: 603148-36-3, Ttp488, Azeliragon [inn], Azeliragon free base, Pf-04494700, Azeliragon [usan]

Molecular Formula

C₃₂H₃₈ClN₃O₂

Molecular Weight

532.1 g/mol

InChI Key

KJNNWYBAOPXVJY-UHFFFAOYSA-N

FDA UNII

LPU25F15UQ

Azeliragon has been used in trials studying the treatment of Alzheimer's Disease.

1 2D Structure

CAS 603148-36-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-[4-[2-butyl-1-[4-(4-chlorophenoxy)phenyl]imidazol-4-yl]phenoxy]-N,N-diethylpropan-1-amine

2.1.2 InChI

InChI=1S/C32H38ClN3O2/c1-4-7-9-32-34-31(25-10-16-28(17-11-25)37-23-8-22-35(5-2)6-3)24-36(32)27-14-20-30(21-15-27)38-29-18-12-26(33)13-19-29/h10-21,24H,4-9,22-23H2,1-3H3

2.1.3 InChI Key

KJNNWYBAOPXVJY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCC1=NC(=CN1C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)OCCCN(CC)CC

2.2 Other Identifiers

2.2.1 UNII

LPU25F15UQ

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1-propanamine, 3-(4-(2-butyl-1-(4-(4-chlorophenoxy)phenyl)-1h-imidazol-4-yl)phenoxy)-n,n-diethyl-

2. 3-(4-(2-butyl-1-(4-(4-chlorophenoxy)phenyl)-1h-imidazol-4-yl)phenoxy)-n,n-diethyl-1-propanamine

3. Ttp488

2.3.2 Depositor-Supplied Synonyms

1. 603148-36-3

2. Ttp488

3. Azeliragon [inn]

4. Azeliragon Free Base

5. Pf-04494700

6. Azeliragon [usan]

7. Ttp-488

8. Lpu25f15uq

9. Ttp488;pf-04494700

10. 3-(4-(2-butyl-1-(4-(4-chlorophenoxy)phenyl)-1h-imidazol-4-yl)phenoxy)-n,n-diethylpropan-1-amine

11. Ttp448

12. 603148-36-3 (free Base)

13. 1-propanamine, 3-(4-(2-butyl-1-(4-(4-chlorophenoxy)phenyl)-1h-imidazol-4-yl)phenoxy)-n,n-diethyl-

14. 3-[4-[2-butyl-1-[4-(4-chlorophenoxy)phenyl]imidazol-4-yl]phenoxy]-n,n-diethylpropan-1-amine

15. Unii-lpu25f15uq

16. 3-(4-(2-butyl-1-(4-(4-chlorophenoxy)phenyl)-1h-imidazol-4-yl)phenoxy)-n,n-diethyl-1-propanamine

17. 3-[4-[2-butyl-1-[4-(4-chlorophenoxy)phenyl]-1h-imidazol-4-yl]phenoxy]-n,n-diethyl-1-propanamine

18. Azeliragon (usan/inn)

19. Azeliragon [usan:inn]

20. Azeliragon [who-dd]

21. Gtpl8317

22. Schembl1142599

23. Chembl3989929

24. Dtxsid601117468

25. Amy17088

26. Bcp16862

27. Ex-a1834

28. Bdbm50249580

29. Mfcd11977600

30. S6415

31. Zinc38336973

32. Akos026750516

33. Azeliragonpf-04494700,ttp488

34. Cs-5117

35. Db12689

36. Sb19818

37. Ac-35831

38. As-49837

39. Hy-50682

40. D11147

41. N11192

42. Q27074825

43. 1-propanamine,3-[4-[2-butyl-1-[4-(4-chlorophenoxy)phenyl]-1h-imidazol-4-yl]phenoxy]-n,n-diethyl-

44. 1421852-66-5

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₃₂H₃₈ClN₃O₂
Molecular Weight	532.1 g/mol
XLogP3	8.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	14
Exact Mass	531.2652552 g/mol
Monoisotopic Mass	531.2652552 g/mol
Topological Polar Surface Area	39.5 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	626
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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