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    Butacaine

    PharmaCompass
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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.)