Atipamezole Hydrochloride

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Also known as: 104075-48-1, Atipamezole hcl, Atipamezole (hydrochloride), 4-(2-ethyl-2,3-dihydro-1h-inden-2-yl)-1h-imidazole hydrochloride, Mpv-1248 hydrochloride, 1h-imidazole, 4-(2-ethyl-2,3-dihydro-1h-inden-2-yl)-, monohydrochloride

Molecular Formula

C₁₄H₁₇ClN₂

Molecular Weight

248.75 g/mol

InChI Key

PCCVCJAQMHDWJY-UHFFFAOYSA-N

FDA UNII

2W4279571X

1 2D Structure

Atipamezole Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-(2-ethyl-1,3-dihydroinden-2-yl)-1H-imidazole;hydrochloride

2.1.2 InChI

InChI=1S/C14H16N2.ClH/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14;/h3-6,9-10H,2,7-8H2,1H3,(H,15,16);1H

2.1.3 InChI Key

PCCVCJAQMHDWJY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCC1(CC2=CC=CC=C2C1)C3=CN=CN3.Cl

2.2 Other Identifiers

2.2.1 UNII

2W4279571X

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 104075-48-1

2. Atipamezole Hcl

3. Atipamezole (hydrochloride)

4. 4-(2-ethyl-2,3-dihydro-1h-inden-2-yl)-1h-imidazole Hydrochloride

5. Mpv-1248 Hydrochloride

6. 1h-imidazole, 4-(2-ethyl-2,3-dihydro-1h-inden-2-yl)-, Monohydrochloride

7. 5-(2-ethyl-2,3-dihydro-1h-inden-2-yl)-1h-imidazole Hydrochloride

8. Mfcd06407819

9. 2w4279571x

10. 104075-48-1 (hcl)

11. 5-(2-ethyl-2,3-dihydro-1h-indene-2-yl)-1h-imidazole Hydrochloride

12. 4-(2-ethyl-2-indanyl)imidazole Hydrochloride

13. Ncgc00182707-02

14. Unii-2w4279571x

15. Atipamezolehydrochloride

16. Mpv1248 Hydrochloride

17. Mpv 1248 Hydrochloride

18. Dsstox_cid_28509

19. Dsstox_rid_82781

20. Dsstox_gsid_48583

21. Schembl203964

22. Chembl2361649

23. Dtxsid2048583

24. 5-(2-ethyl-1,3-dihydroinden-2-yl)-1h-imidazole;hydrochloride

25. Act08567

26. Amy10903

27. Bcp04113

28. Tox21_112912

29. S4649

30. Atipamezole Hydrochloride [mi]

31. Akos015918212

32. Akos025401424

33. Ac-1613

34. Bcp9000339

35. Ccg-266950

36. Cs-3389

37. Atipamezole Hydrochloride [mart.]

38. As-66133

39. Hy-12380

40. Sy057281

41. B7226

42. Cas-104075-48-1

43. Ft-0656606

44. Atipamezole Hydrochloride [green Book]

45. F20658

46. 075a481

47. 5-(2-ethyl-indan-2-yl)-1h-imidazole Hydrochloride

48. J-504668

49. Q27255684

50. Atipamezole Hydrochloride 100 Microg/ml In Acetonitrile

51. 4-(2-ethyl-1,3-dihydroinden-2-yl)-1h-imidazole;hydrochloride

2.4 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₇ClN₂
Molecular Weight	248.75 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	248.1080262 g/mol
Monoisotopic Mass	248.1080262 g/mol
Topological Polar Surface Area	28.7 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	237
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	2