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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: Dimeflin, Dimelfin, Malivan, Reanimil, 1165-48-6, Remeflin

Molecular Formula

C₂₀H₂₁NO₃

Molecular Weight

323.4 g/mol

InChI Key

ZXFQRFXLFWWKLX-UHFFFAOYSA-N

FDA UNII

9WII5M0DU3

1 2D Structure

Dimefline

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

8-[(dimethylamino)methyl]-7-methoxy-3-methyl-2-phenylchromen-4-one

2.1.2 InChI

InChI=1S/C20H21NO3/c1-13-18(22)15-10-11-17(23-4)16(12-21(2)3)20(15)24-19(13)14-8-6-5-7-9-14/h5-11H,12H2,1-4H3

2.1.3 InChI Key

ZXFQRFXLFWWKLX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(OC2=C(C1=O)C=CC(=C2CN(C)C)OC)C3=CC=CC=C3

2.2 Other Identifiers

2.2.1 UNII

9WII5M0DU3

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Dimefline Hydrochloride

2.3.2 Depositor-Supplied Synonyms

1. Dimeflin

2. Dimelfin

3. Malivan

4. Reanimil

5. 1165-48-6

6. Remeflin

7. Nsc 169869

8. Remeflin (van)

9. Nsc169869

10. Nsc-169869

11. 8-(dimethylaminomethyl)-7-methoxy-3-methylflavone

12. 9wii5m0du3

13. 8-((dimethylamino)methyl)-7-methoxy-3-methylflavone

14. 4h-1-benzopyran-4-one, 8-[(dimethylamino)methyl]-7-methoxy-3-methyl-2-phenyl-

15. N-(7-methoxy-3-methyl-4-oxo-2-phenyl-4h-chromen-8-yl)methyl-n,n-dimethylamine

16. Dimefline (inn)

17. 4h-1-benzopyran-4-one, 8-((dimethylamino)methyl)-7-methoxy-3-methyl-2-phenyl-

18. Dimefline [inn]

19. Dw 62

20. 8-[(dimethylamino)methyl]-7-methoxy-3-methylflavone

21. Flavone, 8-[(dimethylamino)methyl]-7-methoxy-3-methyl-

22. Dimeflinum

23. Dimeflina

24. Dimefline [inn:ban]

25. Dimeflinum [inn-latin]

26. Dimeflina [inn-spanish]

27. 8-((dimethylamino)methyl)-7-methoxy-3-methyl-2-phenyl-4h-chromen-4-one

28. Nsc114650

29. Hsdb 2110

30. Ncgc00181097-01

31. Einecs 214-616-4

32. Unii-9wii5m0du3

33. Flavone, 8-((dimethylamino)methyl)-7-methoxy-3-methyl-

34. Brn 1395114

35. Flavone, 8-(dimethylaminomethyl)-7-methoxy-3-methyl-

36. 8-dimethylaminomethyl-7-methoxy-3-methyl-2-phenylchromone

37. 8-((dimethylamino)methyl)-7-methoxy-3-methyl-2-phenylflavone

38. Dimefline [mi]

39. Dimefline [hsdb]

40. Dw 62 (salt/mix)

41. 8-((dimethylamino)methyl)-7-methoxy-3-methyl-2-phenyl-4h-1-benzopyran-4-one

42. Dimefline [who-dd]

43. 3-methyl-7-methoxy-8-dimethylamino-methylflavone

44. Zinc223

45. 5-18-12-00083 (beilstein Handbook Reference)

46. Schembl668130

47. Chembl519364

48. Dtxsid0048268

49. Rec 7/0267 (salt/mix)

50. Chebi:135374

51. Db13482

52. Nci60_000333

53. Nci60_001369

54. D07847

55. Wln: T66 Bo Evj Cr& D1 Io1 J1n1&1

56. Q5277233

57. 3-methyl-7-methoxy-8-[(dimethylamino)methyl]flavone

58. 8-((dimethylamino)methyl)-7-methoxy-3-methyl-2-phenylchromone

59. 8-(dimethylaminomethyl)-7-methoxy-3-methyl-2-phenyl-chromen-4-one

60. 8-[(dimethylamino)methyl]-7-methoxy-3-methyl-2-phenylchromen-4-one

61. 8-[(dimethylamino)methyl]-7-methoxy-3-methyl-2-phenyl-4h-chromen-4-one #

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₁NO₃
Molecular Weight	323.4 g/mol
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	323.15214353 g/mol
Monoisotopic Mass	323.15214353 g/mol
Topological Polar Surface Area	38.8 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	493
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