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    CAS 141109-19-5

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 141109-19-5, Dl9ffg0v0c, D-(+)-methyl-alpha-(2-thienylethamino)(2-chlorophenyl)acetate hydrochloride, Methyl (2s)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride, (+)-methyl-(2-chlorophenyl)-(2-thiophen-2yl-ethylamino) acetate hydrochloride, (s)-n-[2-(2-thienyl)ethyl]-2-chlorophenyl glycine methyl ester hcl
    Molecular Formula
    C15H17Cl2NO2S
    Molecular Weight
    346.3  g/mol
    InChI Key
    ZXANKCFSGFEBQW-UQKRIMTDSA-N
    FDA UNII
    DL9FFG0V0C
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride
    2.1.2 InChI
    InChI=1S/C15H16ClNO2S.ClH/c1-19-15(18)14(12-6-2-3-7-13(12)16)17-9-8-11-5-4-10-20-11;/h2-7,10,14,17H,8-9H2,1H3;1H/t14-;/m0./s1
    2.1.3 InChI Key
    ZXANKCFSGFEBQW-UQKRIMTDSA-N
    2.1.4 Canonical SMILES
    COC(=O)C(C1=CC=CC=C1Cl)NCCC2=CC=CS2.Cl
    2.1.5 Isomeric SMILES
    COC(=O)[C@H](C1=CC=CC=C1Cl)NCCC2=CC=CS2.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    DL9FFG0V0C
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 141109-19-5

    2. Dl9ffg0v0c

    3. D-(+)-methyl-alpha-(2-thienylethamino)(2-chlorophenyl)acetate Hydrochloride

    4. Methyl (2s)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride

    5. (+)-methyl-(2-chlorophenyl)-(2-thiophen-2yl-ethylamino) Acetate Hydrochloride

    6. (s)-n-[2-(2-thienyl)ethyl]-2-chlorophenyl Glycine Methyl Ester Hcl

    7. Unii-dl9ffg0v0c

    8. Schembl1808015

    9. (s)-n-(2-(2-thienyl)ethyl)-2-chlorophenyl Glycine Methyl Ester Hcl

    10. Mfcd08458449

    11. S(+)-n-(2-(2-thienyl)ethyl)-2-chlorophenyl Glycine Methyl Ester Hcl

    12. Akos015918445

    13. Cs-w009823

    14. 109s208

    15. Q-101329

    16. D-(+)-methyl--(2-thienylethamino)(2-chlorophenyl)acetate Hydrochloride

    17. (s)-methyl 2-(2-chlorophenyl)-2-((2-(thiophen-2-yl)ethyl)amino)acetate Hcl

    18. Methyl (2s)-(2-chlorophenyl)[(2-thien-2-yl Ethyl)amino]acetate Hydrochloride

    19. Methyl (2s)-2-(2-chlorophenyl)-2-[2-(thiophen-2-yl)ethylamino]acetate Hydrochloride

    20. Benzeneacetic Acid, 2-chloro-.alpha.-((2-(2-thienyl)ethyl)amino)-, Methyl Ester, Hydrochloride (1:1), (.alpha.s)-

    21. Benzeneacetic Acid, 2-chloro-.alpha.-((2-(2-thienyl)ethyl)amino)-, Methyl Ester, Hydrochloride, (s)-

    22. Benzeneacetic Acid, 2-chloro-alpha-((2-(2-thienyl)ethyl)amino)-, Methyl Ester, Hydrochloride, (s)-

    23. Benzeneacetic Acid, 2-chloro-alpha-[[2-(2-thienyl)ethyl]amino]-, Methyl Ester, Hydrochloride (1:1), (alphas)-

    24. Methyl (2s)-2-(2-chlorophenyl)-2-((2-(thiophen-2-yl)ethyl)amino)acetate Hydrochloride

    2.4 Create Date
    2008-01-07
    3 Chemical and Physical Properties
    Molecular Weight 346.3 g/mol
    Molecular Formula C15H17Cl2NO2S
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count7
    Exact Mass345.0357053 g/mol
    Monoisotopic Mass345.0357053 g/mol
    Topological Polar Surface Area66.6 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity316
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2