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Chemistry

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Also known as: 79944-56-2, Idazoxan (hydrochloride), Idazoxan hcl, Rx 781094, (+/-)-idazoxan monohydrochloride, Mls000069708

Molecular Formula

C₁₁H₁₃ClN₂O₂

Molecular Weight

240.68 g/mol

InChI Key

MYUBYOVCLMEAOH-UHFFFAOYSA-N

FDA UNII

15394QZS7A

A benzodioxane-linked imidazole that has alpha-2 adrenoceptor antagonist activity.

1 2D Structure

Idazoxan

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole;hydrochloride

2.1.2 InChI

InChI=1S/C11H12N2O2.ClH/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11;/h1-4,10H,5-7H2,(H,12,13);1H

2.1.3 InChI Key

MYUBYOVCLMEAOH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CN=C(N1)C2COC3=CC=CC=C3O2.Cl

2.2 Other Identifiers

2.2.1 UNII

15394QZS7A

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Hydrochloride, Idazoxan

2. Idazoxan

3. Rx 781094

4. Rx-781094

5. Rx781094

2.3.2 Depositor-Supplied Synonyms

1. 79944-56-2

2. Idazoxan (hydrochloride)

3. Idazoxan Hcl

4. Rx 781094

5. (+/-)-idazoxan Monohydrochloride

6. Mls000069708

7. Rx-781094

8. Rx 781094 (hydrochloride)

9. 15394qzs7a

10. 2-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)-4,5-dihydro-1h-imidazole Hydrochloride

11. Smr000058458

12. 79944-56-2 (hcl)

13. 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1h-imidazole Hydrochloride

14. 1h-imidazole, 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-, Monohydrochloride

15. 2-(1,4-benzodioxan-2-yl)-2-imidazoline Hydrochloride

16. Sr-01000000206

17. Unii-15394qzs7a

18. Idazoxan(hydrochloride)

19. Opera_id_847

20. Mls001148081

21. Schembl707367

22. Chembl543467

23. Dtxsid10920189

24. (+/-)-2-[1,4-benzodioxan-2-yl]-2-imidazoline Hydrochloride

25. Hms1570j14

26. Pharmakon1600-01506073

27. Idazoxan Hydrochloride [mi]

28. Ex-a4279

29. Tox21_500652

30. Hy-14561a

31. Nsc759867

32. Akos024458652

33. As-0586

34. Ccg-214002

35. Lp00652

36. Rx-781094a

37. 1h-imidazole, 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-,monohydrochloride

38. Ncgc00094015-01

39. Ncgc00094015-02

40. Ncgc00261337-01

41. 90755-83-2

42. Db-056395

43. Cs-0013117

44. Eu-0100652

45. Ft-0630876

46. I 6138

47. Sr-01000000206-2

48. Sr-01000000206-4

49. Sr-01000000206-6

50. Sr-01000000206-7

51. 2-(1,4-benzodioxan-2-yl)-2-imidazolinehydrochloride

52. Q27251682

53. 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1h-imidazole Hcl

54. 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1h-imidazole;hydrochloride

55. 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1h-imidazole;hydron;chloride

56. 1h-imidazole, 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-, Hydrochloride (1:1)

57. 2-(7,10-dioxabicyclo[4.4.0]deca-1,3,5-trien-9-yl)-4,5-dihydro-1h-imidazole Hydrochloride

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₃ClN₂O₂
Molecular Weight	240.68 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	240.0665554 g/mol
Monoisotopic Mass	240.0665554 g/mol
Topological Polar Surface Area	42.8 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	267
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

Adrenergic alpha-2 Receptor Antagonists

Drugs that bind to and block the activation of ADRENERGIC ALPHA-2 RECEPTORS. (See all compounds classified as Adrenergic alpha-2 Receptor Antagonists.)

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