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Medetomidine

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Also known as: 86347-14-0, 4-(1-(2,3-dimethylphenyl)ethyl)-1h-imidazole, Medetomidina, Medetomidinum, Medetomidinum [latin], Medetomidina [spanish]

Molecular Formula

C₁₃H₁₆N₂

Molecular Weight

200.28 g/mol

InChI Key

CUHVIMMYOGQXCV-UHFFFAOYSA-N

FDA UNII

MR15E85MQM

An agonist of RECEPTORS, ADRENERGIC ALPHA-2 that is used in veterinary medicine for its analgesic and sedative properties. It is the racemate of DEXMEDETOMIDINE.

1 2D Structure

Medetomidine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole

2.1.2 InChI

InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)

2.1.3 InChI Key

CUHVIMMYOGQXCV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C(=CC=C1)C(C)C2=CN=CN2)C

2.2 Other Identifiers

2.2.1 UNII

MR15E85MQM

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Hydrochloride, Medetomidine

2. Levomedetomidine

3. Medetomidine Hydrochloride

4. Mpv 785

5. Mpv-785

6. Mpv785

2.3.2 Depositor-Supplied Synonyms

1. 86347-14-0

2. 4-(1-(2,3-dimethylphenyl)ethyl)-1h-imidazole

3. Medetomidina

4. Medetomidinum

5. Medetomidinum [latin]

6. Medetomidina [spanish]

7. 4-[1-(2,3-dimethylphenyl)ethyl]-1h-imidazole

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

9. (+-)-4-(alpha,2,3-trimethylbenzyl)imidazole

10. 1h-imidazole, 4-[1-(2,3-dimethylphenyl)ethyl]-

11. Mr15e85mqm

12. Chembl77921

13. Chebi:48552

14. Medetomidine (inn)

15. Medetomidine [inn]

16. Dexmedetomidina

17. 1h-imidazole, 4-(1-(2,3-dimethylphenyl)ethyl)-

18. Medetomidine [inn:ban]

19. (+)-(s)-4-[1-(2,3-dimethylphenyl) Ethyl]-1h -imidazole Monohydrochloride

20. Unii-mr15e85mqm

21. Domtor

22. Mfcd00880557

23. (rs)-4-(alpha,2,3-trimethylbenzyl)imidazol

24. Medetomidine [mi]

25. Domitor [veterinary] (tn)

26. Schembl26432

27. Dtxsid6048258

28. Medetomidine [green Book]

29. Hms3651h20

30. (s)-medetomidine; Dexmedetomidinum

31. Bcp06913

32. Bcp12592

33. Bdbm50036913

34. Mfcd00864346

35. Mfcd24392996

36. Akos016010776

37. Akos037643760

38. Cs-0734

39. Db11428

40. Sb17478

41. As-35172

42. Hy-17034

43. Sy114102

44. Sy116126

45. Db-060542

46. Ft-0666307

47. Ft-0670775

48. Ft-0716677

49. D08165

50. (+/-)-4-(alpha,2,3-trimethylbenzyl)imidazole

51. Ab01566810_01

52. A863235

53. L000223

54. L001361

55. Q427179

56. (+)-4-[1-(2,3-dimethylphenyl)ethyl]-1h-imidazole

57. (rs)-4-[1-(2,3-dimethylphenyl)ethyl]-3h-imidazole

58. Brd-a66563878-003-01-8

59. (+/-)-4-(.alpha.,2,3-trimethylbenzyl)imidazole

60. 1h-imidazole, 4-(1-(2,3-dimethylphenyl)ethyl)-, (+/-)-

61. 6918-06-5

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₆N₂
Molecular Weight	200.28 g/mol
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	200.131348519 g/mol
Monoisotopic Mass	200.131348519 g/mol
Topological Polar Surface Area	28.7 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	205
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	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Analgesics, Non-Narcotic

A subclass of analgesic agents that typically do not bind to OPIOID RECEPTORS and are not addictive. Many non-narcotic analgesics are offered as NONPRESCRIPTION DRUGS. (See all compounds classified as Analgesics, Non-Narcotic.)

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.)