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Chemistry

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Also known as: 23642-66-2, Benfluorex hcl, Lipophoral, Balans, Benfluorex (hydrochloride), Mediaxal

Molecular Formula

C₁₉H₂₁ClF₃NO₂

Molecular Weight

387.8 g/mol

InChI Key

NLOALSPYZIIXEO-UHFFFAOYSA-N

FDA UNII

X7O165XZ00

1 2D Structure

Benfluorex

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl benzoate;hydrochloride

2.1.2 InChI

InChI=1S/C19H20F3NO2.ClH/c1-14(12-15-6-5-9-17(13-15)19(20,21)22)23-10-11-25-18(24)16-7-3-2-4-8-16;/h2-9,13-14,23H,10-12H2,1H3;1H

2.1.3 InChI Key

NLOALSPYZIIXEO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)C2=CC=CC=C2.Cl

2.2 Other Identifiers

2.2.1 UNII

X7O165XZ00

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1-(2-trifluoromethylphenyl)-2-(benzoyloxyethyl)aminopropane Hcl

2. 780 Se

3. Benfluorex

4. Benfluorex Hydrochloride, (+-)-isomer

5. Benfluorex Maleate

6. Benfluorex, Methanesulfonate Salt

7. Benfluramate

8. Jp 992

9. S 780

10. Se 780

2.3.2 Depositor-Supplied Synonyms

1. 23642-66-2

2. Benfluorex Hcl

3. Lipophoral

4. Balans

5. Benfluorex (hydrochloride)

6. Mediaxal

7. 2-((1-(3-(trifluoromethyl)phenyl)propan-2-yl)amino)ethyl Benzoate Hydrochloride

8. Jp-992 (hydrochloride)

9. X7o165xz00

10. Ncgc00094832-01

11. 2-(-methyl-3-(trifluoromethyl)phenethylamino)ethyl Benzoate Hydrochloride

12. Jp 992

13. 2-[[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl Benzoate Hydrochloride

14. 2-{(1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl}amino)ethyl Benzoate Hydrochloride

15. Dsstox_cid_25854

16. Dsstox_rid_81175

17. Dsstox_gsid_45854

18. 2-((alpha-methyl-m-(trifluoromethyl)phenethyl)amino)ethanol Benzoate (ester)

19. 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl Benzoate;hydrochloride

20. 2-((1-methyl-2-(3-(trifluoromethyl)phenyl)ethyl)amino)ethyl Benzoate Hydrochloride

21. Ethanol, 2-[[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]amino]-, 1-benzoate, Hydrochloride (1:1)

22. Sr-01000838831

23. Einecs 245-801-8

24. Unii-x7o165xz00

25. 2-((1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl)amino)ethyl Benzoate Hydrochloride

26. Mediator (tn)

27. Ethanol, 2-((1-methyl-2-(3-(trifluoromethyl)phenyl)ethyl)amino)-, 1-benzoate, Hydrochloride (1:1)

28. Prestwick_911

29. Einecs 245-020-2

30. 2-(alpha-methyl-3-(trifluoromethyl)phenylethylamino)ethyl Benzoat

31. Cas-23642-66-2

32. Mls002153789

33. Schembl467300

34. Spectrum1500669

35. Chembl1412305

36. Dtxsid8045854

37. Hms1569i15

38. Hms1921a14

39. Pharmakon1600-01500669

40. Amy33324

41. Hy-b1058

42. Tox21_111343

43. Benfluorex Hydrochloride [mi]

44. Ccg-39155

45. Mfcd00058493

46. Nsc757396

47. Akos015994754

48. Tox21_111343_1

49. Cs-4580

50. Ss-4205

51. (1)-2-((1-methyl-2-(3-(trifluoromethyl)phenyl)ethyl)amino)ethyl Benzoate Hydrochloride

52. Benfluorex Hydrochloride [mart.]

53. Ethanol, 2-((alpha-methyl-m-(trifluoromethyl)phenethyl)amino)-, Benzoate (ester), Hcl

54. Benfluorex Hydrochloride [who-dd]

55. Ncgc00094832-02

56. Ncgc00178369-05

57. Ethanol, 2-((1-methyl-2-(3-(trifluoromethyl)phenyl)ethyl)amino)-, Benzoate (ester), Hydrochloride

58. Smr001233170

59. Db-046210

60. Benfluorex Hydrochloride, Analytical Standard

61. Ft-0602882

62. Benfluorex Hydrochloride [ep Impurity]

63. D07508

64. D86322

65. Sr-01000838831-3

66. Sr-01000838831-4

67. W-110575

68. Q27293648

69. 2-({1-[3-(trifluoromethyl)phenyl]prop-2-yl}amino)ethylbenzoate Hydrochloride

70. 2-(1-(3-(trifluoromethyl)phenyl)propan-2-ylamino)ethyl Benzoate Hydrochloride

71. 2-(alpha-methyl-3-(trifluoromethyl)phenylethylamino)ethyl Benzoate Hydrochloride

72. 2-{(1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl}amino)ethylbenzoate Hydrochloride

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₂₁ClF₃NO₂
Molecular Weight	387.8 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	387.1212911 g/mol
Monoisotopic Mass	387.1212911 g/mol
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	408
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Appetite Depressants

Agents that are used to suppress appetite. (See all compounds classified as Appetite Depressants.)

Hypolipidemic Agents

Substances that lower the levels of certain LIPIDS in the BLOOD. They are used to treat HYPERLIPIDEMIAS. (See all compounds classified as Hypolipidemic Agents.)

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