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2D Structure
Also known as: 5987-82-6, Oxybuprocaine hydrochloride, 2-(diethylamino)ethyl 4-amino-3-butoxybenzoate hydrochloride, Oxybuprocaine hcl, Benoxinate hcl, Cebesine
Molecular Formula
C17H29ClN2O3
Molecular Weight
344.9  g/mol
InChI Key
PRGUDWLMFLCODA-UHFFFAOYSA-N
FDA UNII
0VE4U49K15

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(diethylamino)ethyl 4-amino-3-butoxybenzoate;hydrochloride
2.1.2 InChI
InChI=1S/C17H28N2O3.ClH/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3;/h8-9,13H,4-7,10-12,18H2,1-3H3;1H
2.1.3 InChI Key
PRGUDWLMFLCODA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCCOC1=C(C=CC(=C1)C(=O)OCCN(CC)CC)N.Cl
2.2 Other Identifiers
2.2.1 UNII
0VE4U49K15
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Benoxinate

2. Benoxinate Dihydrochloride

3. Benoxinate Monohydrochloride

4. Butoxyprocaine

5. Diethylaminoethyl-4-amino-3-butoxybenzoate

6. Novescine

7. Novesin

8. Oxybuprocaine

2.3.2 Depositor-Supplied Synonyms

1. 5987-82-6

2. Oxybuprocaine Hydrochloride

3. 2-(diethylamino)ethyl 4-amino-3-butoxybenzoate Hydrochloride

4. Oxybuprocaine Hcl

5. Benoxinate Hcl

6. Cebesine

7. Conjuncain

8. Lacrimin

9. Novesin

10. Novesina

11. Novesine

12. Nsc-759847

13. Benoxinate Hydrochloride [usp]

14. 0ve4u49k15

15. 2-(diethylamino)ethyl 4-amino-3-butoxybenzoate;hydrochloride

16. Benzoic Acid, 4-amino-3-butoxy-, 2-(diethylamino)ethyl Ester, Monohydrochloride

17. Dsstox_cid_25393

18. Dsstox_rid_80850

19. Dsstox_gsid_45393

20. Benoxinate Hydrochloride (usp)

21. Dorsacaine

22. Minims Benoxinate

23. Opulets Benoxinate

24. Chebi:31260

25. Dorsacaine Hydrochloride

26. Ncgc00016667-01

27. Cas-5987-82-6

28. Unii-0ve4u49k15

29. Prestwick_896

30. Benoxil (tn)

31. Einecs 227-808-8

32. Oxibuprocaine Chloride

33. Mls002154187

34. Schembl212440

35. Chembl1200654

36. Dtxsid4045393

37. Benoxinate Hydrochloride, >=98%

38. Hms1568k15

39. Pharmakon1600-01505502

40. 2-(diethylamino)ethyl 4-amino-3-butoxybenzoate Monohydrochloride

41. Act03847

42. Amy24736

43. Bcp13054

44. Hy-b1288

45. Oxybuprocaine Hydrochloride (jp17)

46. Tox21_110553

47. Benoxinate Hydrochloride [mi]

48. Mfcd00012512

49. Nsc759847

50. S4229

51. Tox21_110553_1

52. Ccg-213472

53. Nsc 759847

54. Benoxinate Hydrochloride [vandf]

55. Benzoic Acid, 4-amino-3-butoxy-, 2-(diethylamino)ethyl Ester,monohydrochloride

56. Benoxinate Hydrochloride [usp-rs]

57. Ncgc00016667-04

58. Oxybuprocaine Hydrochloride [jan]

59. As-73539

60. Smr001233478

61. Oxybuprocaine Hydrochloride [mart.]

62. Db-053484

63. Oxybuprocaine Hydrochloride [who-dd]

64. Cs-0013060

65. Ft-0635932

66. Sw197016-3

67. Benoxinate Hydrochloride [orange Book]

68. Benoxinate Hydrochloride [usp Monograph]

69. D01768

70. E78665

71. 987b826

72. A832522

73. Oxybuprocaine Hydrochloride [ep Monograph]

74. Sr-01000841198

75. 2-(diethylamino)ethyl 4-amino-3-butoxybenzoate Hcl

76. Sr-01000841198-3

77. Q27114248

78. Altafluor Benox Component Benoxinate Hydrochloride

79. Benoxinate Hydrochloride Component Of Altafluor Benox

80. Benoxinate Hydrochloride, Meets Usp Testing Specifications

81. 4-amino-3-butoxybenzoic Acid Diethylaminoethyl Ester Hydrochloride

82. Oxybuprocaine Hydrochloride, European Pharmacopoeia (ep) Reference Standard

83. Benoxinate Hydrochloride, United States Pharmacopeia (usp) Reference Standard

84. Benzoic Acid, 4-amino-3-butoxy-, 2-(diethylamino)ethyl Ester, Hydrochloride (1:1)

2.4 Create Date
2006-04-14
3 Chemical and Physical Properties
Molecular Weight 344.9 g/mol
Molecular Formula C17H29ClN2O3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass344.1866705 g/mol
Monoisotopic Mass344.1866705 g/mol
Topological Polar Surface Area64.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity308
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, Local

Drugs that block nerve conduction when applied locally to nerve tissue in appropriate concentrations. They act on any part of the nervous system and on every type of nerve fiber. In contact with a nerve trunk, these anesthetics can cause both sensory and motor paralysis in the innervated area. Their action is completely reversible. (From Gilman AG, et. al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 8th ed) Nearly all local anesthetics act by reducing the tendency of voltage-dependent sodium channels to activate. (See all compounds classified as Anesthetics, Local.)