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    RGX-104

    DEVELOPMENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 610318-03-1, Rgx-104 hydrochloride, Rgx-104, Rgx-104 hcl, D32013xltx, Sb742881
    Molecular Formula
    C34H34Cl2F3NO3
    Molecular Weight
    632.5  g/mol
    InChI Key
    LCMIYQOJZLRHTO-GJFSDDNBSA-N
    FDA UNII
    D32013XLTX
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[3-[(3R)-3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]butoxy]phenyl]acetic acid;hydrochloride
    2.1.2 InChI
    InChI=1S/C34H33ClF3NO3.ClH/c1-24(18-19-42-29-16-8-10-25(20-29)21-32(40)41)39(22-28-15-9-17-31(33(28)35)34(36,37)38)23-30(26-11-4-2-5-12-26)27-13-6-3-7-14-27;/h2-17,20,24,30H,18-19,21-23H2,1H3,(H,40,41);1H/t24-;/m1./s1
    2.1.3 InChI Key
    LCMIYQOJZLRHTO-GJFSDDNBSA-N
    2.1.4 Canonical SMILES
    CC(CCOC1=CC=CC(=C1)CC(=O)O)N(CC2=C(C(=CC=C2)C(F)(F)F)Cl)CC(C3=CC=CC=C3)C4=CC=CC=C4.Cl
    2.1.5 Isomeric SMILES
    C[C@H](CCOC1=CC=CC(=C1)CC(=O)O)N(CC2=C(C(=CC=C2)C(F)(F)F)Cl)CC(C3=CC=CC=C3)C4=CC=CC=C4.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    D32013XLTX
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Sb 742881

    2. Sb-742881

    3. Sb742881

    2.3.2 Depositor-Supplied Synonyms

    1. 610318-03-1

    2. Rgx-104 Hydrochloride

    3. Rgx-104

    4. Rgx-104 Hcl

    5. D32013xltx

    6. Sb742881

    7. Rgx104 Hcl

    8. Rgx-104 (hydrochloride)

    9. Unii-d32013xltx

    10. Schembl3975944

    11. Abequolixron Hydrochloride

    12. Sb-742881 Hydrochloride

    13. Amy16847

    14. Bcp29451

    15. Ex-a2710

    16. S8689

    17. Ac-31569

    18. Hy-111498

    19. Cs-0042266

    20. Rgx-104 Hydrochloride;rgx-104; Rgx104; Rgx 104

    21. (3-((3r)-3-(((2-chloro-3-(trifluoromethyl)phenyl)methyl)(2,2- Diphenylethyl)amino)butoxy)phenyl)acetic Acid Hydrochloride

    22. (r)-2-(3-(3-((2-chloro-3-(trifluoromethyl)benzyl)(2,2-diphenylethyl)amino)butoxy)phenyl)acetic Acid Hydrochloride

    23. (r)-2-(3-{3-[[2chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino]-3-methyl-propoxy}-phenyl)acetic Acid Hydrochloride Salt

    24. Benzeneacetic Acid, 3-((3r)-3-(((2-chloro-3-(trifluoromethyl)phenyl)methyl)(2,2-diphenylethyl)amino)butoxy)-, Hydrochloride (1:1)

    2.4 Create Date
    2012-11-30
    3 Chemical and Physical Properties
    Molecular Weight 632.5 g/mol
    Molecular Formula C34H34Cl2F3NO3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count13
    Exact Mass631.1867838 g/mol
    Monoisotopic Mass631.1867838 g/mol
    Topological Polar Surface Area49.8 Ų
    Heavy Atom Count43
    Formal Charge0
    Complexity783
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2