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    Chemistry

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    Also known as: 5156-58-1, Benzyl fentanyl hydrochloride, Ecf9jw6j8q, Benzylfentanyl hydrochloride, Benzyl fentanyl (hydrochloride), Propionanilide, n-(1-benzyl-4-piperidyl)-, hydrochloride
    Molecular Formula
    C21H27ClN2O
    Molecular Weight
    358.9  g/mol
    InChI Key
    IHEUGHQOXFVWOX-UHFFFAOYSA-N
    FDA UNII
    ECF9JW6J8Q
    CAS 5156-58-1
    1 2D Structure

    CAS 5156-58-1

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-(1-benzylpiperidin-4-yl)-N-phenylpropanamide;hydrochloride
    2.1.2 InChI
    InChI=1S/C21H26N2O.ClH/c1-2-21(24)23(19-11-7-4-8-12-19)20-13-15-22(16-14-20)17-18-9-5-3-6-10-18;/h3-12,20H,2,13-17H2,1H3;1H
    2.1.3 InChI Key
    IHEUGHQOXFVWOX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCC(=O)N(C1CCN(CC1)CC2=CC=CC=C2)C3=CC=CC=C3.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    ECF9JW6J8Q
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Benzylfentanyl

    2. Benzylfentanyl Hydrochloride

    2.3.2 Depositor-Supplied Synonyms

    1. 5156-58-1

    2. Benzyl Fentanyl Hydrochloride

    3. Ecf9jw6j8q

    4. Benzylfentanyl Hydrochloride

    5. Benzyl Fentanyl (hydrochloride)

    6. Propionanilide, N-(1-benzyl-4-piperidyl)-, Hydrochloride

    7. N-(1-benzylpiperidin-4-yl)-n-phenylpropanamide;hydrochloride

    8. N-phenyl-n-[1-(phenylmethyl)-4-piperidinyl]-propanamide,monohydrochloride

    9. Ncgc00247689-01

    10. Unii-ecf9jw6j8q

    11. Dsstox_cid_28859

    12. Dsstox_rid_83128

    13. Dsstox_gsid_48933

    14. Chembl2361433

    15. Dtxsid4048933

    16. Tox21_112839

    17. Akos038556156

    18. Cas-5156-58-1

    2.4 Create Date
    2012-10-06
    3 Chemical and Physical Properties
    Molecular Weight 358.9 g/mol
    Molecular Formula C21H27ClN2O
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count5
    Exact Mass358.1811912 g/mol
    Monoisotopic Mass358.1811912 g/mol
    Topological Polar Surface Area23.6 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity377
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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