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    PharmaCompass

    Chemistry

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    Also known as: 61085-87-8, Norcarfentanil (hydrochloride), Methyl 4-(phenyl-propionyl-amino)-piperidine-4-carboxylate hcl, Methyl 4-(n-propanoylanilino)piperidine-4-carboxylate;hydrochloride, Schembl11523241, Mfcd00506656
    Molecular Formula
    C16H23ClN2O3
    Molecular Weight
    326.82  g/mol
    InChI Key
    OHAKVFPGXHKSME-UHFFFAOYSA-N
    CAS 61085-87-8
    1 2D Structure

    CAS 61085-87-8

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 4-(N-propanoylanilino)piperidine-4-carboxylate;hydrochloride
    2.1.2 InChI
    InChI=1S/C16H22N2O3.ClH/c1-3-14(19)18(13-7-5-4-6-8-13)16(15(20)21-2)9-11-17-12-10-16;/h4-8,17H,3,9-12H2,1-2H3;1H
    2.1.3 InChI Key
    OHAKVFPGXHKSME-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCC(=O)N(C1=CC=CC=C1)C2(CCNCC2)C(=O)OC.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 61085-87-8

    2. Norcarfentanil (hydrochloride)

    3. Methyl 4-(phenyl-propionyl-amino)-piperidine-4-carboxylate Hcl

    4. Methyl 4-(n-propanoylanilino)piperidine-4-carboxylate;hydrochloride

    5. Schembl11523241

    6. Mfcd00506656

    7. Db-050219

    8. Ft-0715761

    9. Methyl 4-(phenyl-propionyl-amino)-piperidine-4-carboxylate Hydrochloride

    10. 4-(phenyl-propionyl-amino)-piperidine-4-carboxylic Acid Methyl Ester Hydrochloride

    11. Methyl 4-[n-(1-oxopropyl)n-phenylamino]-4-piperidinecarboxylate Hydrochloride

    2.3 Create Date
    2007-02-07
    3 Chemical and Physical Properties
    Molecular Weight 326.82 g/mol
    Molecular Formula C16H23ClN2O3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count5
    Exact Mass326.1397203 g/mol
    Monoisotopic Mass326.1397203 g/mol
    Topological Polar Surface Area58.6 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity372
    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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