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    LGM Pharma accelerates & optimizes the new product pathway from early development through commercialization.

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    Munit offers scalable GMP micronization and particle size engineering to enhance drug solubility, bioavailability, and performance.

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    Mission CDMO team brings reliability, resourcefulness, & responsiveness in executing your development project.

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    Jai Radhe Sales is your partner for all your sourcing needs.

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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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

    BUILDING BLOCK

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