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Lofexidine

Lofexidine

Synopsis, Chemistry

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Also known as: 21498-08-8, Lofexidine hcl, Lofexidine.hcl, Lofexidine (hydrochloride), Britlofex, Mdl 14,042

Molecular Formula

C₁₁H₁₃Cl₃N₂O

Molecular Weight

295.6 g/mol

InChI Key

DWWHMKBNNNZGHF-UHFFFAOYSA-N

FDA UNII

V47G1SDI1B

1 2D Structure

Lofexidine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole;hydrochloride

2.1.2 InChI

InChI=1S/C11H12Cl2N2O.ClH/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13;/h2-4,7H,5-6H2,1H3,(H,14,15);1H

2.1.3 InChI Key

DWWHMKBNNNZGHF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C1=NCCN1)OC2=C(C=CC=C2Cl)Cl.Cl

2.2 Other Identifiers

2.2.1 UNII

V47G1SDI1B

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-(alpha-(2,6-dichlorophenoxy)ethyl) Delta-2-imidazoline

2. Britlofex

3. Lofexidine

4. Lofexidine Mono-hydrochloride

5. Lofexidine Monohydrochloride

6. Lofexidine, (+-)-isomer

7. Lucemyra

2.3.2 Depositor-Supplied Synonyms

1. 21498-08-8

2. Lofexidine Hcl

3. Lofexidine.hcl

4. Lofexidine (hydrochloride)

5. Britlofex

6. Mdl 14,042

7. Lofexidine Hydrochloride [usan]

8. Mdl-14042

9. Nsc-759654

10. V47g1sdi1b

11. 2-(1-(2,6-dichlorophenoxy)ethyl)-4,5-dihydro-1h-imidazole Hydrochloride

12. 2-[1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-1h-imidazole;hydrochloride

13. Lucemyra

14. Lofetensin

15. Loxacor

16. Baq-168;mdl-14042

17. 2-(1-(2,6-dichlorophenoxy)ethyl)-2-imidazoline Monohydrochloride

18. 1h-imidazole, 2-(1-(2,6-dichlorophenoxy)ethyl)-4,5-dihydro-, Monohydrochloride

19. Lofexidine Hydrochloride (usan)

20. 2-(1-(2,6-dichlorophenoxy)ethyl)-2-imidazoline Hydrochloride

21. 2-[1-(2,6-dichlorophenoxy)ethyl]-2-imidazoline Hydrochloride

22. Loxacor Hydrochloride

23. Lofetensin Hydrochloride

24. Lofexidine Hcl

25. Lofexidine (tn)

26. Rmi-14042a

27. Lucemyra (tn)

28. Ba 168

29. Mfcd00917022

30. Unii-v47g1sdi1b

31. Mls001424245

32. Schembl124601

33. Chembl1788132

34. Dtxsid0020781

35. Pharmakon1600-01502357

36. Bcp30600

37. Hy-b1052

38. 2-(1-(2,6-dichlorphenoxy)aethyl)-2-imidazolin-hydrochlorid [german]

39. Lofexidine Hydrochloride [mi]

40. Nsc759654

41. Zb0287

42. 2-{1-[(2,6-dichlorophenyl)oxy]ethyl}-4,5-dihydro-1h-imidazole Hydrochloride

43. 2-imidazoline, 2-(1-(2,6-dichlorophenoxy)ethyl)-, Monohydrochloride

44. Akos015902903

45. Ccg-101139

46. Ccg-213049

47. Cs-4574

48. Nc00389

49. Nsc 759654

50. (-)-2-[1-(2,6-dichlorophenoxy)-ethyl]-1,3-diazacyclopent-2-ene Hydrochloride

51. Lofexidine Hydrochloride [mart.]

52. Lofexidine Hydrochloride [vandf]

53. Lofexidine Hydrochloride [who-dd]

54. As-31095

55. Smr000469232

56. Ft-0651655

57. Ft-0670833

58. Sw197769-3

59. Lofexidine Hydrochloride [orange Book]

60. D04765

61. 498l088

62. A815419

63. J-014106

64. Q27291521

65. 2-(1-(2,6-dichlorphenoxy)aethyl)-2-imidazolin-hydrochlorid

66. 2-[1-(2,6-dichlorophenoxy) -ethyl]2-imidazoline Hydrochloride

67. 2-(1-(2,6-dichlorophenoxy)ethyl)-4,5-dihydro-1h-imidazolehydrochloride

68. Lofexidine Hcl;lofexidine Monohydrochloride;baq-168; Mdl-14042;ba 168;mdl 14,042

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₃Cl₃N₂O
Molecular Weight	295.6 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	294.009346 g/mol
Monoisotopic Mass	294.009346 g/mol
Topological Polar Surface Area	33.6 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	263
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

Narcotic Antagonists

Agents inhibiting the effect of narcotics on the central nervous system. (See all compounds classified as Narcotic Antagonists.)

Adrenergic alpha-2 Receptor Agonists

Compounds that bind to and activate ADRENERGIC ALPHA-2 RECEPTORS. (See all compounds classified as Adrenergic alpha-2 Receptor Agonists.)

Antihypertensive Agents

Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS. (See all compounds classified as Antihypertensive Agents.)