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Tricaine

Synopsis, Chemistry

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Also known as: 886-86-2, Tricaine methanesulfonate, Ethyl 3-aminobenzoate methanesulfonate, Finquel, Metacaine, 3-aminobenzoic acid ethyl ester methanesulfonate

Molecular Formula

C₁₀H₁₅NO₅S

Molecular Weight

261.30 g/mol

InChI Key

FQZJYWMRQDKBQN-UHFFFAOYSA-N

FDA UNII

971ZM8IPK1

1 2D Structure

Tricaine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 3-aminobenzoate;methanesulfonic acid

2.1.2 InChI

InChI=1S/C9H11NO2.CH4O3S/c1-2-12-9(11)7-4-3-5-8(10)6-7;1-5(2,3)4/h3-6H,2,10H2,1H3;1H3,(H,2,3,4)

2.1.3 InChI Key

FQZJYWMRQDKBQN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)C1=CC(=CC=C1)N.CS(=O)(=O)O

2.2 Other Identifiers

2.2.1 UNII

971ZM8IPK1

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Ethyl M-aminobenzoate Methanesulfonate

2. Metacaine

3. Ms-222

4. Ms222 Compound

5. Tricaine Hydrochloride

6. Tricaine Methane Sulfonate (ch3so4)

2.3.2 Depositor-Supplied Synonyms

1. 886-86-2

2. Tricaine Methanesulfonate

3. Ethyl 3-aminobenzoate Methanesulfonate

4. Finquel

5. Metacaine

6. 3-aminobenzoic Acid Ethyl Ester Methanesulfonate

7. Tricaine Mesylate

8. Ms-222

9. Ethyl M-aminobenzoate Methanesulfonate

10. Tricaine Mesilate

11. Metacaine Mesylate

12. 3-aminobenzoic Acid Ethyl Ester Methanesulfonate Salt

13. Ethyl 3-aminobenzoate Methanesulfonic Acid Salt

14. Mfcd00013176

15. Ts-222

16. Ethyl 3-aminobenzoate, Methanesulfonic Acid Salt

17. Tricaine (methanesulfonate)

18. Ethyl 3-aminobenzoate;methanesulfonic Acid

19. Tricaine Methane Sulfonate

20. Ms 222

21. Ethyl M-aminobenzoate, Methanesulfonic Acid Salt

22. Nsc-93790

23. Benzoic Acid, 3-amino-, Ethyl Ester, Methanesulfonate

24. Dsstox_cid_2133

25. Ts 222

26. Ethyl M-aminobenzoate Methane Sulfonate

27. Dsstox_rid_76502

28. Dsstox_gsid_22133

29. 971zm8ipk1

30. Cas-886-86-2

31. Methanesulfonic Acid, Compd. With Ethyl M-aminobenzoate (1:1)

32. Ncgc00166020-01

33. Benzoic Acid, 3-amino-, Ethyl Ester, Methanesulfonate (1:1)

34. Ethyl 3-aminobenzoate Methanesulfonate Salt

35. Metacaine Methanesulfonate

36. Tricaine [mi]

37. Ethyl 3-aminobenzoate Methanesulphonate Salt

38. Wln: Zr Cvo2 &wsq1

39. Chembl3184210

40. Dtxsid6022133

41. Chebi:131331

42. Tricaine Mesilate [mart.]

43. Hms3885o19

44. Act00276

45. Bcp09224

46. Nsc93790

47. Tox21_112290

48. S3682

49. Akos015852379

50. Tox21_112290_1

51. Ccg-267065

52. Cs-w012493

53. Ds-4091

54. Hy-w011777

55. Ncgc00166020-03

56. Sy033468

57. Tricaine Methanesulfonate [who-dd]

58. 3-(ethoxycarbonyl)anilinium Methanesulfonate

59. Benzoic Acid, Ethyl Ester, Methanesulfonate

60. Db-057099

61. Ethyl 3-aminobenzoate Methanesulfonate, 98%

62. Ft-0615029

63. T0941

64. Tricaine Methanesulfonate [green Book]

65. H11281

66. A842843

67. Methanesulfonic Acid--ethyl 3-aminobenzoate (1/1)

68. Q3533237

69. W-100390

70. Ethyl 3-aminobenzoate Methanesulfonate Salt, Analytical Standard

71. 3-amino-benzoic Acid Ethyl Ester; Compound With Methanesulfonic Acid

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₅NO₅S
Molecular Weight	261.30 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	261.06709375 g/mol
Monoisotopic Mass	261.06709375 g/mol
Topological Polar Surface Area	115 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	251
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

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Anesthetics

Agents capable of inducing a total or partial loss of sensation, especially tactile sensation and pain. They may act to induce general ANESTHESIA, in which an unconscious state is achieved, or may act locally to induce numbness or lack of sensation at a targeted site. (See all compounds classified as Anesthetics.)