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2D Structure
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

2D Structure

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 Weight 261.30 g/mol
Molecular Formula C10H15NO5S
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass261.06709375 g/mol
Monoisotopic Mass261.06709375 g/mol
Topological Polar Surface Area115 Ų
Heavy Atom Count17
Formal Charge0
Complexity251
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

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.)