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    CAS 70406-92-7

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 70406-92-7, Ethyl n-(2,3-dichloro-6-aminobenzyl)glcycine, Ethyl 2-((6-amino-2,3-dichlorobenzyl)amino)acetate, N-(6-amino-2,3-dichlorobenzyl)glycine ethyl ester, Anagrelide related compound a, (6-amino-2,3-dichlorobenzylamino)acetic acid ethyl ester
    Molecular Formula
    C11H14Cl2N2O2
    Molecular Weight
    277.14  g/mol
    InChI Key
    GXKCDDOGWWCMAO-UHFFFAOYSA-N
    FDA UNII
    5395VIK2H2
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 2-[(6-amino-2,3-dichlorophenyl)methylamino]acetate
    2.1.2 InChI
    InChI=1S/C11H14Cl2N2O2/c1-2-17-10(16)6-15-5-7-9(14)4-3-8(12)11(7)13/h3-4,15H,2,5-6,14H2,1H3
    2.1.3 InChI Key
    GXKCDDOGWWCMAO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)CNCC1=C(C=CC(=C1Cl)Cl)N
    2.2 Other Identifiers
    2.2.1 UNII
    5395VIK2H2
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 70406-92-7

    2. Ethyl N-(2,3-dichloro-6-aminobenzyl)glcycine

    3. Ethyl 2-((6-amino-2,3-dichlorobenzyl)amino)acetate

    4. N-(6-amino-2,3-dichlorobenzyl)glycine Ethyl Ester

    5. Anagrelide Related Compound A

    6. (6-amino-2,3-dichlorobenzylamino)acetic Acid Ethyl Ester

    7. Ethyl N-(6-amino-2,3-dichlorobenzyl)glycine

    8. Ethyl (2-amino-5,6-dichlorobenzyl)aminoacetate

    9. 5395vik2h2

    10. Glycine, N-((6-amino-2,3-dichlorophenyl)methyl)-, Ethyl Ester

    11. (anagrelide Impurity A)

    12. Ethyl 2-[(6-amino-2,3-dichlorophenyl)methylamino]acetate

    13. Unii-5395vik2h2

    14. Anagrelide Related Compound A [usp]

    15. Schembl278947

    16. Dtxsid60220681

    17. Bcpp000237

    18. Amy33420

    19. Bcp22674

    20. Ethyl 2-(6-amino-2,3-dichlorobenzyl)glycine(anagrelide Impurity A)

    21. Mfcd08063815

    22. Zinc35644222

    23. Akos022172483

    24. Ac-3495

    25. Bcp9000667

    26. Bs-17950

    27. Cs-0151572

    28. Ft-0668142

    29. Ft-0696704

    30. Anagrelide Related Compound A [usp-rs]

    31. 406a927

    32. Anagrelide Related Compound A [usp Impurity]

    33. Ethyl 2-(6-amino-2,3-dichlorobenzyl-amino)acetate

    34. N-(2-amino-5,6-dichlorobenzyl)glycine Ethyl Ester

    35. Q27261079

    36. Ethyl 2-(6-amino-2,3-dichlorobenzyl)glycine Dihydrochloride

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 277.14 g/mol
    Molecular Formula C11H14Cl2N2O2
    XLogP32.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count6
    Exact Mass276.0432331 g/mol
    Monoisotopic Mass276.0432331 g/mol
    Topological Polar Surface Area64.4 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity254
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1