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    Hexylcaine

    FINISHED DOSAGE FORMULATIONS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 532-76-3, Hexylcaine hcl, Hexylcaine hydrochloride (1 g), Hexylcaine (hydrochloride), V00nq7sdyi, 1-(cyclohexylamino)propan-2-yl benzoate;hydrochloride
    Molecular Formula
    C16H24ClNO2
    Molecular Weight
    297.82  g/mol
    InChI Key
    MTFCPNHRBINLRQ-UHFFFAOYSA-N
    FDA UNII
    V00NQ7SDYI
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(cyclohexylamino)propan-2-yl benzoate;hydrochloride
    2.1.2 InChI
    InChI=1S/C16H23NO2.ClH/c1-13(12-17-15-10-6-3-7-11-15)19-16(18)14-8-4-2-5-9-14;/h2,4-5,8-9,13,15,17H,3,6-7,10-12H2,1H3;1H
    2.1.3 InChI Key
    MTFCPNHRBINLRQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(CNC1CCCCC1)OC(=O)C2=CC=CC=C2.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    V00NQ7SDYI
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Hexylcaine

    2.3.2 Depositor-Supplied Synonyms

    1. 532-76-3

    2. Hexylcaine Hcl

    3. Hexylcaine Hydrochloride (1 G)

    4. Hexylcaine (hydrochloride)

    5. V00nq7sdyi

    6. 1-(cyclohexylamino)propan-2-yl Benzoate;hydrochloride

    7. 1-(cyclohexylamino)-2-propanol Benzoate (ester) Hydrochloride

    8. 2-propanol, 1-(cyclohexylamino)-, Benzoate (ester), Hydrochloride

    9. Dsstox_cid_25321

    10. Dsstox_rid_80800

    11. Dsstox_gsid_45321

    12. Cyclaine; Cyclaine Hydrochloride; Hexylcaine Hydrochloride

    13. Einecs 208-544-2

    14. Unii-v00nq7sdyi

    15. Hexylcaine Hydrochloride [usp]

    16. D 109

    17. Cyclaine (tn)

    18. Ncgc00016495-01

    19. Benzoic Acid, (2-(cyclohexylamino)-1-methyl)ethyl Ester, Hydrochloride

    20. Cas-532-76-3

    21. (2-(benzoyloxy)propyl)cyclohexylammonium Chloride

    22. Schembl24192

    23. Mls002154000

    24. 1-(cyclohexylamino)propan-2-yl Benzoate Hydrochloride

    25. Chembl1200715

    26. Dtxsid6045321

    27. Hms1570m18

    28. Tox21_110456

    29. Hexylcaine Hydrochloride [mi]

    30. Tox21_110456_1

    31. Ccg-220788

    32. Hexylcaine Hydrochloride [mart.]

    33. Hexylcaine Hydrochloride [who-dd]

    34. Ncgc00179382-03

    35. Smr001233331

    36. Hexylcaine Hydrochloride [orange Book]

    37. D02454

    38. Sr-01000841236

    39. Sr-01000841236-2

    40. Q27291360

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 297.82 g/mol
    Molecular Formula C16H24ClNO2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count6
    Exact Mass297.1495567 g/mol
    Monoisotopic Mass297.1495567 g/mol
    Topological Polar Surface Area38.3 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity268
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2