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    Technical details about CAS 741705-70-4, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 741705-70-4

    Manufacturers/Suppliers

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: D-threo-ritalinic acid hydrochloride, Mk6ct5px5d, 2iey1kk135, Methylphenidate acid hydrochloride, d-, 741705-70-4, Ritalinic acid hydrochloride, d-threo-
    Molecular Formula
    C13H18ClNO2
    Molecular Weight
    255.74  g/mol
    InChI Key
    SCUMDQFFZZGUQY-MNMPKAIFSA-N
    FDA UNII
    MK6CT5PX5D
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetic acid;hydrochloride
    2.1.2 InChI
    InChI=1S/C13H17NO2.ClH/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11;/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16);1H/t11-,12-;/m1./s1
    2.1.3 InChI Key
    SCUMDQFFZZGUQY-MNMPKAIFSA-N
    2.1.4 Canonical SMILES
    C1CCNC(C1)C(C2=CC=CC=C2)C(=O)O.Cl
    2.1.5 Isomeric SMILES
    C1CCN[C@H](C1)[C@@H](C2=CC=CC=C2)C(=O)O.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    MK6CT5PX5D
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. D-threo-ritalinic Acid Hydrochloride

    2. Mk6ct5px5d

    3. 2iey1kk135

    4. Methylphenidate Acid Hydrochloride, D-

    5. 741705-70-4

    6. Ritalinic Acid Hydrochloride, D-threo-

    7. Methylphenidate Related Compound A [usp-rs]

    8. Alpha-phenyl-2-piperidineacetic Acid Hydrochloride

    9. Methylphenidate Related Compound A

    10. Unii-mk6ct5px5d

    11. Unii-2iey1kk135

    12. Q27254783

    13. (2r)-2-phenyl-2-[(2r)-piperidin-2-yl]acetic Acid Hydrochloride

    14. 2-piperidineacetic Acid, Alpha-phenyl-, Hydrochloride, (alphar,2r)-

    15. 2-piperidineacetic Acid, Alpha-phenyl-, Hydrochloride (1:1), (alphar,2r)-

    16. 2-piperidineacetic Acid, .alpha.-phenyl-, Hydrochloride (1:1), (.alpha.r,2r)-

    17. 2-piperidineacetic Acid, .alpha.-phenyl-, Hydrochloride (1:1), (.alpha.r,2r)-rel-

    18. 2-piperidineacetic Acid, .alpha.-phenyl-, Hydrochloride, (.alpha.r,2r)-

    2.4 Create Date
    2010-12-27
    3 Chemical and Physical Properties
    Molecular Weight 255.74 g/mol
    Molecular Formula C13H18ClNO2
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass255.1026065 g/mol
    Monoisotopic Mass255.1026065 g/mol
    Topological Polar Surface Area49.3 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity236
    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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