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Technical details about Butacaine, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
Also known as: 149-16-6, 3-(dibutylamino)propyl 4-aminobenzoate, P-aminobenzoyldibutylaminopropanol, 1-propanol, 3-(dibutylamino)-, 4-aminobenzoate (ester), 3-(dibutylamino)-1-propanol p-aminobenzoate, 3-dibutylaminopropyl p-aminobenzoate
Molecular Formula
C18H30N2O2
Molecular Weight
306.4  g/mol
InChI Key
HQFWVSGBVLEQGA-UHFFFAOYSA-N
FDA UNII
Z84S23CGJJ

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-(dibutylamino)propyl 4-aminobenzoate
2.1.2 InChI
InChI=1S/C18H30N2O2/c1-3-5-12-20(13-6-4-2)14-7-15-22-18(21)16-8-10-17(19)11-9-16/h8-11H,3-7,12-15,19H2,1-2H3
2.1.3 InChI Key
HQFWVSGBVLEQGA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCCN(CCCC)CCCOC(=O)C1=CC=C(C=C1)N
2.2 Other Identifiers
2.2.1 UNII
Z84S23CGJJ
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 3-(dibutylamino)propyl 4-aminobenzoate

2. Butacaine Sulfate

3. Butaprobenz

4. Butocain

2.3.2 Depositor-Supplied Synonyms

1. 149-16-6

2. 3-(dibutylamino)propyl 4-aminobenzoate

3. P-aminobenzoyldibutylaminopropanol

4. 1-propanol, 3-(dibutylamino)-, 4-aminobenzoate (ester)

5. 3-(dibutylamino)-1-propanol P-aminobenzoate

6. 3-dibutylaminopropyl P-aminobenzoate

7. 3-(p-aminobenzoxy)-1-di-n-butylaminopropane

8. Butelline

9. Nsc-758632

10. Z84s23cgjj

11. Mls000028619

12. Ncgc00016411-01

13. Cas-149-16-6

14. Smr000058686

15. 1-propanol, 3-(dibutylamino)-, P-aminobenzoate (ester)

16. Dsstox_cid_25300

17. Dsstox_rid_80789

18. Dsstox_gsid_45300

19. 1-propanol, 3-(dibutylamino)-, 1-(4-aminobenzoate)

20. Butacainum

21. Butacaina

22. Butacaine [inn:ban]

23. Butacainum [inn-latin]

24. Butacaina [inn-spanish]

25. Sr-01000003139

26. Einecs 205-734-7

27. Unii-z84s23cgjj

28. Brn 2135378

29. Prestwick_984

30. Spectrum_001562

31. Butacaine [inn]

32. Butacaine [mi]

33. Opera_id_1473

34. Prestwick0_000831

35. Prestwick1_000831

36. Prestwick2_000831

37. Prestwick3_000831

38. Spectrum2_001593

39. Spectrum3_001943

40. Spectrum4_000219

41. Spectrum5_001565

42. Butacaine [vandf]

43. Butacaine [who-dd]

44. Schembl26156

45. Bspbio_000781

46. Bspbio_003543

47. Kbiogr_000857

48. Kbioss_002042

49. Divk1c_000864

50. Spectrum1503914

51. Spbio_001586

52. Spbio_002702

53. Bpbio1_000861

54. Chembl129529

55. Dtxsid3045300

56. Chebi:94820

57. Hms502l06

58. Kbio1_000864

59. Kbio2_002042

60. Kbio2_004610

61. Kbio2_007178

62. Kbio3_002827

63. Ninds_000864

64. Hms1570h03

65. Hms1922k10

66. Hms2093k17

67. Hms2097h03

68. Hms2230j20

69. Hms3371o14

70. Hms3714h03

71. Pharmakon1600-01503914

72. Hy-b1007

73. Zinc1596184

74. Tox21_110428

75. Bdbm50225491

76. Ccg-39371

77. Nsc758632

78. Akos024374899

79. Tox21_110428_1

80. Cs-4504

81. Db11502

82. Nsc 758632

83. Idi1_000864

84. Ncgc00016411-02

85. Ncgc00016411-03

86. Ncgc00016411-04

87. Ncgc00016411-05

88. Ncgc00016411-06

89. Ncgc00016411-07

90. Ncgc00016411-10

91. Ncgc00023714-03

92. Ncgc00023714-04

93. Ncgc00023714-05

94. 3-(dibutylamino)propyl 4-aminobenzoate #

95. (3-di-n-butylaminopropyl)-p-aminobenzoate

96. Sbi-0051856.p002

97. Ab00052382

98. Sw197068-3

99. 1-propanol, 3-(dibutylamino)-, 4-aminobenzoate

100. 1-propanol, 3-(dibutylamino)-, P-aminobenzoate

101. 4-aminobenzoic Acid 3-(dibutylamino)propyl Ester

102. Ab00052382_15

103. Ab00052382_16

104. J-008557

105. J-008559

106. Q5002339

107. Sr-01000003139-2

108. Sr-01000003139-3

109. Brd-k99622919-001-05-7

110. Brd-k99622919-001-15-6

111. 3-(dibutylamino)-1-propanol P-aminobenzoate (ester)

2.4 Create Date
2005-03-25
3 Chemical and Physical Properties
Molecular Weight 306.4 g/mol
Molecular Formula C18H30N2O2
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Exact Mass306.230728204 g/mol
Monoisotopic Mass306.230728204 g/mol
Topological Polar Surface Area55.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity281
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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.)


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