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Tolperisone

Tolperisone

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Also known as: 3644-61-9, Tolperisone hcl, Midocalm, Muscalm, Tolperisone (hydrochloride), 2,4'-dimethyl-3-piperidinopropiophenone hydrochloride

Molecular Formula

C₁₆H₂₄ClNO

Molecular Weight

281.82 g/mol

InChI Key

ZBUVYROEHQQAKL-UHFFFAOYSA-N

FDA UNII

8Z075K2TIG

A centrally acting muscle relaxant that has been used for the symptomatic treatment of spasticity and muscle spasm. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1211)

1 2D Structure

Tolperisone

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride

2.1.2 InChI

InChI=1S/C16H23NO.ClH/c1-13-6-8-15(9-7-13)16(18)14(2)12-17-10-4-3-5-11-17;/h6-9,14H,3-5,10-12H2,1-2H3;1H

2.1.3 InChI Key

ZBUVYROEHQQAKL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2.Cl

2.2 Other Identifiers

2.2.1 UNII

8Z075K2TIG

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Hydrochloride, Tolperisone

2. Midocalm

3. Mydeton

4. Mydocalm

5. Tolperisone

2.3.2 Depositor-Supplied Synonyms

1. 3644-61-9

2. Tolperisone Hcl

3. Midocalm

4. Muscalm

5. Tolperisone (hydrochloride)

6. 2,4'-dimethyl-3-piperidinopropiophenone Hydrochloride

7. 2-methyl-3-piperidino-1-p-tolylpropan-1-one Hydrochloride

8. Tolperisone Hydrochloride [jan]

9. 2-methyl-1-(4-methylphenyl)-3-(piperidin-1-yl)propan-1-one Hydrochloride

10. N-553

11. 2-methyl-1-(4-methylphenyl)-3-(1-piperidinyl)-1-propanone Hydrochloride

12. 3644-61-9 (hcl)

13. 8z075k2tig

14. 1-piperidino-2-methyl-3-(p-tolyl)-3-propanone Hydrochloride

15. Ncgc00094929-01

16. Dsstox_cid_25868

17. Dsstox_rid_81187

18. Dsstox_gsid_45868

19. Arantoick

20. Atmosgen

21. Besnoline

22. Isocalm

23. Kineorl

24. Metosomin

25. Abbsa

26. 2-methyl-3-(piperidin-1-yl)-1-p-tolylpropan-1-one Hydrochloride

27. 2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride

28. Cas-3644-61-9

29. Tolperisonehydrochloride

30. Einecs 222-876-5

31. Av 650

32. Unii-8z075k2tig

33. 1-propanone, 2-methyl-1-(4-methylphenyl)-3-(1-piperidinyl)-, Hydrochloride

34. Muscalm (tn)

35. Mfcd00058211

36. Biocalm

37. Minacalm

38. Naismeritin

39. Tolfree

40. Tolisartine

41. Tolpidol

42. Ncgc00182078-02

43. Mls004773941

44. Schembl872770

45. Spectrum1501194

46. 2,4'-dimethyl-3-piperidino-propiophenone Hydrochloride

47. Chembl1395150

48. Dtxsid2045868

49. Chebi:32244

50. Propiophenone, 2,4'-dimethyl-3-piperidino-, Hydrochloride

51. Tolperisone Hydrochloride (jp17)

52. Hms1921p09

53. Pharmakon1600-01501194

54. Hy-b1139

55. Tox21_111360

56. Tox21_113139

57. Ccg-40311

58. Nsc757872

59. S4200

60. Tolperisone Hydrochloride [mi]

61. 2-methyl-1-(4-methylphenyl)-3-(1-piperidyl)propan-1-one Hydrochloride

62. Akos005167032

63. Tox21_111360_1

64. Ac-4685

65. Cs-4744

66. Ncgc00094929-02

67. Ncgc00178060-03

68. Tolperisone Hydrochloride [mart.]

69. As-12472

70. Bp-10588

71. Smr003500666

72. Tolperisone Hydrochloride [who-dd]

73. Ft-0603642

74. Ft-0675274

75. Sw219278-1

76. T1319

77. A18694

78. D01507

79. H12066

80. 644t619

81. Sr-01000872774

82. Tolperisone Hydrochloride, >=98% (hplc), Solid

83. Sr-01000872774-1

84. W-106614

85. Q27271220

86. F9995-4198

87. 2-methyl-3-(piperidin-1-yl)-1-(p-tolyl)propan-1-one Hydrochloride

88. 1-propanone, 2-methyl-1-(4-methylphenyl)-3-(1-piperidinyl)-, Hydrochloride (1:1)

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₂₄ClNO
Molecular Weight	281.82 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	281.1546421 g/mol
Monoisotopic Mass	281.1546421 g/mol
Topological Polar Surface Area	20.3 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	262
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

Muscle Relaxants, Central

A heterogeneous group of drugs used to produce muscle relaxation, excepting the neuromuscular blocking agents. They have their primary clinical and therapeutic uses in the treatment of muscle spasm and immobility associated with strains, sprains, and injuries of the back and, to a lesser degree, injuries to the neck. They have been used also for the treatment of a variety of clinical conditions that have in common only the presence of skeletal muscle hyperactivity, for example, the muscle spasms that can occur in MULTIPLE SCLEROSIS. (From Smith and Reynard, Textbook of Pharmacology, 1991, p358) (See all compounds classified as Muscle Relaxants, Central.)