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    Technical details about (4S)-4-(Phenylthio)-L-proline Hydrochloride, learn more about the structure, uses, toxicity, action, side effects and more

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    (4S)-4-(Phenylthio)-L-proline Hydrochloride

    Manufacturers/Suppliers

    PharmaCompass

    Inke S.A: APIs manufacturing plant.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    1. Also known as: 105107-84-4, (4s)-4-(phenylthio)-l-proline hydrochloride, Cis-4-phenylthio-l-proline hcl, (2s,4s)-4-phenylsulfanylpyrrolidine-2-carboxylic acid;hydrochloride, Amy40642, (2s,4s)-4-(phenylthio)pyrrolidine-2-carboxylic acid hydrochloride
    Molecular Formula
    C11H14ClNO2S
    Molecular Weight
    259.75  g/mol
    InChI Key
    XXNAGGDFBCTLQA-IYPAPVHQSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S,4S)-4-phenylsulfanylpyrrolidine-2-carboxylic acid;hydrochloride
    2.1.2 InChI
    InChI=1S/C11H13NO2S.ClH/c13-11(14)10-6-9(7-12-10)15-8-4-2-1-3-5-8;/h1-5,9-10,12H,6-7H2,(H,13,14);1H/t9-,10-;/m0./s1
    2.1.3 InChI Key
    XXNAGGDFBCTLQA-IYPAPVHQSA-N
    2.1.4 Canonical SMILES
    C1C(CNC1C(=O)O)SC2=CC=CC=C2.Cl
    2.1.5 Isomeric SMILES
    C1[C@@H](CN[C@@H]1C(=O)O)SC2=CC=CC=C2.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 105107-84-4

    2. (4s)-4-(phenylthio)-l-proline Hydrochloride

    3. Cis-4-phenylthio-l-proline Hcl

    4. (2s,4s)-4-phenylsulfanylpyrrolidine-2-carboxylic Acid;hydrochloride

    5. Amy40642

    6. (2s,4s)-4-(phenylthio)pyrrolidine-2-carboxylic Acid Hydrochloride

    7. Mfcd11109939

    8. Akos016003348

    9. Ac-2144

    10. Ds-15496

    11. Cs-0187341

    12. F11899

    13. 107p844

    14. Q-101026

    15. (2s,4s)-4-(phenylsulfanyl)-l-proline Hydrochloride

    16. Cis-4-phenylthio-l-proline Hydrochloride (h-l-pro(4-sph)-oh.hcl)

    2.3 Create Date
    2010-07-26
    3 Chemical and Physical Properties
    Molecular Weight 259.75 g/mol
    Molecular Formula C11H14ClNO2S
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass259.0433776 g/mol
    Monoisotopic Mass259.0433776 g/mol
    Topological Polar Surface Area74.6 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity229
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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