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CAS 86347-15-1

Chemistry

Chemistry

MARKET PLACE

1 Intermediates

1 Intermediates

Also known as: Medetomidine hcl, 86347-15-1, Domitor, 106807-72-1, Mpv785, Mpv 785

Molecular Formula

C₁₃H₁₇ClN₂

Molecular Weight

236.74 g/mol

InChI Key

VPNGEIHDPSLNMU-UHFFFAOYSA-N

FDA UNII

BH210P244U

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

CAS 86347-15-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C13H16N2.ClH/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);1H

2.1.3 InChI Key

VPNGEIHDPSLNMU-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

BH210P244U

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Hydrochloride, Medetomidine

2. Levomedetomidine

3. Medetomidine

4. Mpv 785

5. Mpv-785

6. Mpv785

2.3.2 Depositor-Supplied Synonyms

1. Medetomidine Hcl

2. 86347-15-1

3. Domitor

4. 106807-72-1

5. Mpv785

6. Mpv 785

7. Medetomidine (hydrochloride)

8. 4-(1-(2,3-dimethylphenyl)ethyl)-1h-imidazole Hydrochloride

9. Mpv-785

10. Chebi:48556

11. Medetomidine Hydrochloride [usan]

12. 4-[1-(2,3-dimethylphenyl)ethyl]-1h-imidazole Hydrochloride

13. 5-[1-(2,3-dimethylphenyl)ethyl]-1h-imidazole;hydrochloride

14. 1h-imidazole, 4-[1-(2,3-dimethylphenyl)ethyl]-, Monohydrochloride

15. Bh210p244u

16. (+-)-4-(alpha,2,3-trimethylbenzyl)imidazole Monohydrochloride

17. 86347-15-1 (hcl)

18. Medetomidine Hydrochloride (usan)

19. Metomidine

20. Zalopine

21. (s)-4-(1-(2,3-dimethylphenyl)ethyl)-1h-imidazole Hydrochloride;dexmedetomidine Hydrochloride

22. (s)-medetomidine Hydrochloride

23. Unii-bh210p244u

24. Levomedetomidine Hcl

25. Domitor Hydrochloride

26. Medetomidinehydrochloride

27. Medetomidin Hydrochloride

28. Ncgc00025347-01

29. Dsstox_cid_25691

30. Dsstox_rid_81063

31. Dsstox_gsid_45691

32. Mls003882579

33. Schembl204843

34. Chembl537161

35. Dtxsid3045691

36. Act04744

37. Bcp04768

38. Bcp04773

39. Tox21_110966

40. Ac-932

41. Bdbm50230390

42. Hy-17034b

43. Mfcd06798319

44. S3060

45. Akos015950971

46. Akos024458523

47. As-2748

48. Ccg-266850

49. Medetomidine Hydrochloride [mi]

50. Sb17477

51. Medetomidine Hydrochloride [mart.]

52. Smr002533644

53. Cas-86347-15-1

54. Db-056923

55. Db-063586

56. Am20041260

57. Ft-0630939

58. Ft-0645167

59. Ft-0670971

60. M3314

61. Sw219239-1

62. D04883

63. Medetomidine Hydrochloride [green Book]

64. 347m151

65. Sr-01000597778

66. Sr-01000597778-1

67. Q27121262

68. 5-(1-(2,3-dimethylphenyl)ethyl)-1h-imidazole Hydrochloride

69. (+/-)-5-[1-(2,3-dimethylphenyl)ethyl]-1h-imidazole Hydrochloride

70. (+/-)-4-(.alpha.,2,3-trimethylbenzyl)imidazole Monohydrochloride

71. 1h-imidazole, 4-(1-(2,3-dimethylphenyl)ethyl)-, Monohydrochloride, (+-)-

72. 1h-imidazole, 4-[1-(2,3-dimethylphenyl)ethyl]-, Hydrochloride (1:1)

73. 4-(1-(2,3-dimethylphenyl)ethyl)-, Monohydrochloride, (+/-)-

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₇ClN₂
Molecular Weight	236.74 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	236.1080262 g/mol
Monoisotopic Mass	236.1080262 g/mol
Topological Polar Surface Area	28.7 Å²
Heavy Atom Count	16
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	2

4 Drug and Medication Information

4.1 Drug Information

1 of 1
Drug Name	PRECEDEX
Active Ingredient	DEXMEDETOMIDINE HYDROCHLORIDE
Company	HOSPIRA (Application Number: N021038. Patents: 6716867, 6716867PED, 8242158, 8242158PED, 8338470, 8338470PED, 8455527, 8455527PED, 8648106, 8648106PED, 9320712, 9320712PED, 9616049, 9616049*PED)

5 Pharmacology and Biochemistry

5.1 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, 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.)