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Chemistry

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Also known as: 90038-01-0, Detomidine hcl, Domosedan, Mpv-253 aii, Detomidine hydrochloride [usan], Detomidine (hydrochloride)
Molecular Formula
C12H15ClN2
Molecular Weight
222.71  g/mol
InChI Key
OIWRDXKNDCJZSM-UHFFFAOYSA-N
FDA UNII
95K4LKB6QE

Detomidine
1 2D Structure

Detomidine

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-[(2,3-dimethylphenyl)methyl]-1H-imidazole;hydrochloride
2.1.2 InChI
InChI=1S/C12H14N2.ClH/c1-9-4-3-5-11(10(9)2)6-12-7-13-8-14-12;/h3-5,7-8H,6H2,1-2H3,(H,13,14);1H
2.1.3 InChI Key
OIWRDXKNDCJZSM-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C(=CC=C1)CC2=CN=CN2)C.Cl
2.2 Other Identifiers
2.2.1 UNII
95K4LKB6QE
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Detomidine

2. Detomidine Monohydrochloride

2.3.2 Depositor-Supplied Synonyms

1. 90038-01-0

2. Detomidine Hcl

3. Domosedan

4. Mpv-253 Aii

5. Detomidine Hydrochloride [usan]

6. Detomidine (hydrochloride)

7. 5-(2,3-dimethylbenzyl)-1h-imidazole Hydrochloride

8. 5-[(2,3-dimethylphenyl)methyl]-1h-imidazole Hydrochloride

9. 4-(2,3-dimethylbenzyl)imidazole Monohydrochloride

10. 95k4lkb6qe

11. 1h-imidazole, 4-[(2,3-dimethylphenyl)methyl]-, Monohydrochloride

12. 4-(2,3-dimethylbenzyl)-1h-imidazole Hydrochloride

13. Mfcd17292784

14. 1h-imidazole, 4-((2,3-dimethylphenyl)methyl)-, Monohydrochloride

15. 5-(2,3-dimethylbenzyl)imidazole Hydrochloride

16. Dsstox_cid_28587

17. Dsstox_rid_82858

18. 4-(2,3-dimethylbenzyl)-1h-imidazole Hcl

19. Dsstox_gsid_48661

20. Detomidine Hydrochloride (usan)

21. 5-[(2,3-dimethylphenyl)methyl]-1h-imidazole;hydrochloride

22. Cas-90038-01-0

23. Ncgc00182057-02

24. Unii-95k4lkb6qe

25. 4-[(2,3-dimethylphenyl)methyl]-1h-imidazole;hydrochloride

26. 4-(2',3'-dimethylbenzyl)imidazole Hydrochloride

27. 4-((2,3-dimethylphenyl)methyl)-1h-imidazole Hydrochloride

28. Schembl203174

29. Chembl2106210

30. Dtxsid7048661

31. Hy-b0163a

32. Amy6987

33. Bcp06805

34. Tox21_113020

35. Ac-309

36. Detomidine Hydrochloride [mi]

37. S2092

38. Akos024464193

39. Akos025149295

40. Tox21_113020_1

41. As-2744

42. Ccg-266742

43. Cs-1996

44. Sb39723

45. Detomidine Hydrochloride [mart.]

46. Ncgc00182057-03

47. Sy046831

48. D4331

49. Detomidine Hydrochloride [green Book]

50. Ft-0666296

51. Sw219456-1

52. D03702

53. 4-[(2,3-dimethylbenzyl)]imidazole Hydrochloride

54. 038d010

55. 5-[(2,3-dimethylphenyl)methyl]-1h-imidazole Hcl

56. A854060

57. Detomidine Hydrochloride For Veterinary Use

58. 4-(2'',3''-dimethylbenzyl)imidazole Hydrochloride

59. J-516575

60. Q27271799

61. 4-(2,3-dimethylbenzyl)-1h-imidazole Hydrochloride (1:1)

62. 4-[(2,3-dimethylphenyl)methyl]-3h-imidazole Hydrochloride

63. Detomidine Hydrochloride For Veterinary Use [ep Monograph]

64. Detomidine Hydrochloride; Mpv-253 Hcl; Mpv 253 Hcl; Mpv253 Hcl

65. 4-[(2,3-dimethylphenyl)methyl]-1h-imidazole Monohydrochloride;detomidine Hcl

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 222.71 g/mol
Molecular Formula C12H15ClN2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass222.0923762 g/mol
Monoisotopic Mass222.0923762 g/mol
Topological Polar Surface Area28.7 Ų
Heavy Atom Count15
Formal Charge0
Complexity181
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

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.)


Hypnotics and Sedatives

Drugs used to induce drowsiness or sleep or to reduce psychological excitement or anxiety. (See all compounds classified as Hypnotics and Sedatives.)


Analgesics

Compounds capable of relieving pain without the loss of CONSCIOUSNESS. (See all compounds classified as Analgesics.)


API Reference Price

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10-Feb-2021
26-Sep-2024
KGS
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