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    Amylocaine Hydrochloride

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
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    2D Structure
    Also known as: 532-59-2, Amylocaine hcl, Amyleine hydrochloride, (2-benzoyloxy-2-methylbutyl)dimethylammonium chloride, [1-(dimethylamino)-2-methylbutan-2-yl] benzoate;hydrochloride, 1-(dimethylaminomethyl)-1-methylpropyl benzoate hydrochloride
    Molecular Formula
    C14H22ClNO2
    Molecular Weight
    271.78  g/mol
    InChI Key
    YCAXNWFCHTZUMD-UHFFFAOYSA-N
    FDA UNII
    224EF0K14Q
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [1-(dimethylamino)-2-methylbutan-2-yl] benzoate;hydrochloride
    2.1.2 InChI
    InChI=1S/C14H21NO2.ClH/c1-5-14(2,11-15(3)4)17-13(16)12-9-7-6-8-10-12;/h6-10H,5,11H2,1-4H3;1H
    2.1.3 InChI Key
    YCAXNWFCHTZUMD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCC(C)(CN(C)C)OC(=O)C1=CC=CC=C1.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    224EF0K14Q
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Amyleine

    2. Amylocaine

    3. Dolodent

    4. Stovaine

    2.3.2 Depositor-Supplied Synonyms

    1. 532-59-2

    2. Amylocaine Hcl

    3. Amyleine Hydrochloride

    4. (2-benzoyloxy-2-methylbutyl)dimethylammonium Chloride

    5. [1-(dimethylamino)-2-methylbutan-2-yl] Benzoate;hydrochloride

    6. 1-(dimethylaminomethyl)-1-methylpropyl Benzoate Hydrochloride

    7. 224ef0k14q

    8. Dsstox_cid_25320

    9. Dsstox_rid_80799

    10. Dsstox_gsid_45320

    11. Stovaine Hydrochloride

    12. Prestwick_24

    13. Einecs 208-541-6

    14. Unii-224ef0k14q

    15. Dolodent (tn)

    16. 1-(dimethylamino)-2-methyl-2-butanol Benzoate Hydrochloride

    17. 2-dimethylamino-1-ethyl-1-methylethyl Benzoate Hydrochloride

    18. Methylethyldimethylaminomethylcarbinol Benzoyl Ester Hydrochloride

    19. Ncgc00016494-01

    20. Cas-532-59-2

    21. Schembl25684

    22. Mls002154185

    23. Chembl1718204

    24. Dtxsid1045320

    25. Hms1568i19

    26. Tox21_110455

    27. Amylocaine Hydrochloride [mi]

    28. 2-butanol, 1-(dimethylamino)-2-methyl-, Benzoate, Hydrochloride

    29. Tox21_110455_1

    30. Ccg-220049

    31. Amylocaine Hydrochloride [mart.]

    32. Amylocaine Hydrochloride [who-dd]

    33. Ncgc00179641-03

    34. Smr001233476

    35. Ft-0622377

    36. D07572

    37. Sr-01000841239

    38. Q-200639

    39. Sr-01000841239-2

    40. Q27253603

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 271.78 g/mol
    Molecular Formula C14H22ClNO2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count6
    Exact Mass271.1339066 g/mol
    Monoisotopic Mass271.1339066 g/mol
    Topological Polar Surface Area29.5 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity247
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2