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    HLXCXOQXUDRJLF-VRZFHARJSA-N manufacturers and suppliers on PharmaCompass

    Client Email Product

    HLXCXOQXUDRJLF-VRZFHARJSA-N

    Manufacturers/Suppliers

    PharmaCompass
    HLXCXOQXUDRJLF-VRZFHARJSA-N
    Also known as: Schembl4056981, Akos015888113
    Molecular Formula
    C15H20ClNO2
    Molecular Weight
    281.78  g/mol
    InChI Key
    HLXCXOQXUDRJLF-VRZFHARJSA-N
    1 2D Structure

    HLXCXOQXUDRJLF-VRZFHARJSA-N

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    benzyl (3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylate;hydrochloride
    2.1.2 InChI
    InChI=1S/C15H19NO2.ClH/c17-15(18-10-11-5-2-1-3-6-11)14-9-12-7-4-8-13(12)16-14;/h1-3,5-6,12-14,16H,4,7-10H2;1H/t12-,13-,14?;/m1./s1
    2.1.3 InChI Key
    HLXCXOQXUDRJLF-VRZFHARJSA-N
    2.1.4 Canonical SMILES
    C1CC2CC(NC2C1)C(=O)OCC3=CC=CC=C3.Cl
    2.1.5 Isomeric SMILES
    C1C[C@@H]2CC(N[C@@H]2C1)C(=O)OCC3=CC=CC=C3.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Schembl4056981

    2. Akos015888113

    2.3 Create Date
    2007-12-04
    3 Chemical and Physical Properties
    Molecular Weight 281.78 g/mol
    Molecular Formula C15H20ClNO2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count4
    Exact Mass281.1182566 g/mol
    Monoisotopic Mass281.1182566 g/mol
    Topological Polar Surface Area38.3 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity299
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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