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Chemistry

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Also known as: 69-44-3, Acrichin dihydrochloride, Amodiaquin dihydrochloride, Amodiaquine hydrochloride anhydrous, 4-((7-chloroquinolin-4-yl)amino)-2-((diethylamino)methyl)phenol dihydrochloride, Amodiaquine (dihydrochloride)

Molecular Formula

C₂₀H₂₄Cl₃N₃O

Molecular Weight

428.8 g/mol

InChI Key

ROEBJVHPINPMKL-UHFFFAOYSA-N

FDA UNII

HOE64181MP

A 4-aminoquinoline compound with anti-inflammatory properties.

1 2D Structure

Amodiaquine Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;dihydrochloride

2.1.2 InChI

InChI=1S/C20H22ClN3O.2ClH/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19;;/h5-12,25H,3-4,13H2,1-2H3,(H,22,23);2*1H

2.1.3 InChI Key

ROEBJVHPINPMKL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O.Cl.Cl

2.2 Other Identifiers

2.2.1 UNII

HOE64181MP

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Amodiachin

2. Amodiaquin

3. Amodiaquine

4. Camoquin

5. Camoquine

6. Flavoquine

7. Hydrochloride, Amodiaquine

2.3.2 Depositor-Supplied Synonyms

1. 69-44-3

2. Acrichin Dihydrochloride

3. Amodiaquin Dihydrochloride

4. Amodiaquine Hydrochloride Anhydrous

5. 4-((7-chloroquinolin-4-yl)amino)-2-((diethylamino)methyl)phenol Dihydrochloride

6. Amodiaquine (dihydrochloride)

7. Hoe64181mp

8. Camoquin Hydrochloride

9. Phenol, 4-((7-chloro-4-quinolinyl)amino)-2-((diethylamino)methyl)-, Dihydrochloride

10. 7-chloro-4-(3'-diethylaminomethyl-4'-hydroxyanilino)quinoline Dihydrochloride

11. 4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)methyl]phenol Dihydrochloride

12. 4-((7-chloroquinolin-4-yl)amino)-2-((diethylamino)-methyl)phenol 2hcl

13. 4-((7-chloroquinolin-4-yl)amino)-2-((diethylamino)-methyl)phenol Dihydrochloride

14. Einecs 200-706-0

15. Unii-hoe64181mp

16. Ai3-52838

17. Acrichindihydrochloride

18. 4-((7-chloro-4-quinolyl)amino)-alpha-(diethylamino)-o-cresol Dihydrochloride

19. 4-(7-chloro-4-quinolylamino)-alpha-(diethylamino)-o-cresol Dihydrochloride

20. Schembl317888

21. Amodiaquinedihydrochloride

22. Chembl3137745

23. Hy-b1322b

24. Dtxsid20219036

25. Kuc110919c

26. Bcp34401

27. Mfcd00078857

28. S5500

29. 4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol Dihydrochloride

30. 4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;dihydrochloride

31. Akos015962122

32. Ccg-268988

33. Ds-4067

34. Sb73131

35. Ksc-280-058

36. O-cresol, 4-((7-chloro-4-quinolyl)amino)-alpha-(diethylamino)-, Dihydrochloride

37. 2-[[bis(1,1,2,2,2-pentadeuterioethyl)amino]methyl]-4-[(7-chloroquinolin-4-yl)amino]phenol;dihydrochl

38. Ac-15935

39. Amodiaquine 2hcl;acrichin Dihydrochloride

40. Amodiaquine Dihydrochloride Anhydrous

41. Amodiaquine Dihydrochloride, Anhydrous

42. Cs-0013341

43. Ft-0650478

44. F16487

45. W-104623

46. Q27280034

47. 4-((7-chloro-4-quinolyl)amino)-.alpha.-(diethylamino)-o-cresol Dihydrochloride

48. 4-(7-chloroquinolin-4-ylamino)-2-((diethylamino)methyl)phenol Dihydrochloride

49. 4-[(7-chloro-4-quinolinyl)amino]-2-[(diethylamino)methyl]phenol Dihydrochloride

50. 2-[[bis(1,1,2,2,2-pentadeuterioethyl)amino]methyl]-4-[(7-chloroquinolin-4-yl)amino]phenol;dihydrochloride

51. O-cresol, 4-((7-chloro-4-quinolyl)amino)-.alpha.-(diethylamino)-, Dihydrochloride Anhydrous

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₄Cl₃N₃O
Molecular Weight	428.8 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	427.098495 g/mol
Monoisotopic Mass	427.098495 g/mol
Topological Polar Surface Area	48.4 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	406
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	3

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Antimalarials

Agents used in the treatment of malaria. They are usually classified on the basis of their action against plasmodia at different stages in their life cycle in the human. (From AMA, Drug Evaluations Annual, 1992, p1585) (See all compounds classified as Antimalarials.)

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