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Amodiaquin Dihydrochloride Dihydrate

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Chemistry

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Also known as: 6398-98-7, Amodiaquine hcl, Amodiaquine hydrochloride, Amodiaquine dihydrochloride dihydrate, 4-((7-chloroquinolin-4-yl)amino)-2-((diethylamino)methyl)phenol dihydrochloride dihydrate, Amodiaquin hcl hydrate

Molecular Formula

C₂₀H₂₈Cl₃N₃O₃

Molecular Weight

464.8 g/mol

InChI Key

YVNAYSHNIILOJS-UHFFFAOYSA-N

FDA UNII

K6PW2S574L

A 4-aminoquinoline compound with anti-inflammatory properties.

1 2D Structure

Amodiaquin Dihydrochloride Dihydrate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C20H22ClN3O.2ClH.2H2O/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*1H2

2.1.3 InChI Key

YVNAYSHNIILOJS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

K6PW2S574L

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Amodiachin

2. Amodiaquin

3. Amodiaquine

4. Amodiaquine Hydrochloride

5. Camoquin

6. Camoquine

7. Flavoquine

8. Hydrochloride, Amodiaquine

2.3.2 Depositor-Supplied Synonyms

1. 6398-98-7

2. Amodiaquine Hcl

3. Amodiaquine Hydrochloride

4. Amodiaquine Dihydrochloride Dihydrate

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

6. Amodiaquin Hcl Hydrate

7. K6pw2s574l

8. Amodiaquine Hydrochloride [usp]

9. 6398-98-7 (hcl Hydrate)

10. Amodiaquine (dihydrochloride Dihydrate)

11. Nsc-755863

12. Ncgc00017063-01

13. Cas-6398-98-7

14. 4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol Dihydrate Dihydrochloride

15. 4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;dihydrate;dihydrochloride

16. Amodiaquine Hydrochloride (usp)

17. Camoquin Hydrochloride

18. Chebi:50652

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

20. Cam-aq 1

21. Unii-k6pw2s574l

22. Amodiaquin Dihydrochlorid-2-wasser

23. Prestwick_677

24. Sn 10751

25. Amodiaquini Hydrochloridum

26. Amodiaquin Dihcl Dihydrate

27. Camoquin Hydrochloride (tn)

28. Dsstox_cid_25568

29. Dsstox_rid_80965

30. Dsstox_gsid_45568

31. Amodiaquindihydrochloridedihydrate

32. Chembl1357648

33. Dtxsid3045568

34. S4589 Amodiaquin (dihydrochlori

35. Hms1568n20

36. Hy-b1322

37. Tox21_110765

38. Mfcd09260307

39. S4589

40. Akos016339633

41. Ccg-220309

42. Cs-4895

43. Ks-1326

44. Ks-5250

45. Nsc 755863

46. 4-((7-chloro-4-quinolyl)amino)-alpha-(diethylamino)-o-cresol Dihydrochloride Dihydrate

47. 4-(7-chloro-4-quinolinylamino)-2-(diethylaminomethyl)phenol Dihydrochloride Dihydrate

48. Amodiaquine Hydrochloride [mart.]

49. Amodiaquine Hydrochloride [vandf]

50. Ncgc00017063-02

51. Ncgc00017063-03

52. Amodiaquine Hydrochloride [usp-rs]

53. Amodiaquine Hydrochloride [who-dd]

54. Amodiaquine Hydrochloride [who-ip]

55. Db-054591

56. Ft-0740309

57. A16405

58. Amodiaquine Hydrochloride [orange Book]

59. D02466

60. D95328

61. Amodiaquine Hydrochloride [usp Monograph]

62. Amodiaquini Hydrochloridum [who-ip Latin]

63. A834604

64. Amodiaquine Dihydrochloride Dihydrate [mi]

65. Amodiaquine Hydrochloride Dihydrate [who-dd]

66. Q27122169

67. Z1563146060

68. 4-[(7-chloranylquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol Dihydrate Dihydrochloride

69. 4-[(7-chloro-4-quinolinyl)amino]-2-(diethylaminomethyl)phenol Dihydrate Dihydrochloride

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

71. 4-((7-chloro-4-quinolyl)amino)-.alpha.-(diethylamino)-o-cresol Dihydrochloride Dihydrate

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₈Cl₃N₃O₃
Molecular Weight	464.8 g/mol
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	463.119625 g/mol
Monoisotopic Mass	463.119625 g/mol
Topological Polar Surface Area	50.4 Å²
Heavy Atom Count	29
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	5

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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