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    Emixustat Hydrochloride

    DEVELOPMENTS

    DIGITAL CONTENT

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    2D Structure
    Also known as: 1141934-97-5, Emixustat (hydrochloride), Acu-4429 hcl, Emixustat hydrochloride [usan], Ap4of2m98b, Acu-4429 hydrochloride
    Molecular Formula
    C16H26ClNO2
    Molecular Weight
    299.83  g/mol
    InChI Key
    BPZWRYOUJMDQSY-PKLMIRHRSA-N
    FDA UNII
    AP4OF2M98B
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol;hydrochloride
    2.1.2 InChI
    InChI=1S/C16H25NO2.ClH/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13;/h4,7-8,11,13,16,18H,1-3,5-6,9-10,12,17H2;1H/t16-;/m1./s1
    2.1.3 InChI Key
    BPZWRYOUJMDQSY-PKLMIRHRSA-N
    2.1.4 Canonical SMILES
    C1CCC(CC1)COC2=CC=CC(=C2)C(CCN)O.Cl
    2.1.5 Isomeric SMILES
    C1CCC(CC1)COC2=CC=CC(=C2)[C@@H](CCN)O.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    AP4OF2M98B
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1141934-97-5

    2. Emixustat (hydrochloride)

    3. Acu-4429 Hcl

    4. Emixustat Hydrochloride [usan]

    5. Ap4of2m98b

    6. Acu-4429 Hydrochloride

    7. (r)-3-amino-1-(3-(cyclohexylmethoxy)phenyl)propan-1-ol Hydrochloride

    8. Benzenemethanol, Alpha-(2-aminoethyl)-3-(cyclohexylmethoxy)-, Hydrochloride (1:1), (alphar)-

    9. (1r)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol;hydrochloride

    10. Emixustat Hydrochloride (usan)

    11. (1r)-3-amino-1-(3-(cyclohexylmethoxy)phenyl)propan-1-ol Hydrochloride

    12. Unii-ap4of2m98b

    13. (1r)-3-amino-1-(3-(cyclohexylmethoxyl)phenyl)propan-1-ol Hcl

    14. (1r)-3-amino-1-[3-(cyclohexylmethoxyl)phenyl]propan-1-ol Hcl

    15. Emixustat Hydrochlorde

    16. Emixustatl Hcl

    17. Emixustat (acu-4429)

    18. Schembl2206235

    19. Chembl2107829

    20. Dtxsid00150670

    21. Ex-a1346

    22. Hy-19720a

    23. Mfcd28400873

    24. Cs-5622

    25. Emixustat Hydrochloride [who-dd]

    26. As-77865

    27. Acu-4429 Hydrochlorideacu-4429 Hydrochloride

    28. D10363

    29. F18632

    30. A857793

    31. Q27274044

    32. Benzenemethanol, A-(2-aminoethyl)-3-(cyclohexylmethoxy)-, Hydrochloride (1:1), (ar)-

    33. Benzenemethanol, .alpha.-(2-aminoethyl)-3-(cyclohexylmethoxy)-, Hydrochloride (1:1), (.alpha.r)-

    2.4 Create Date
    2012-09-19
    3 Chemical and Physical Properties
    Molecular Weight 299.83 g/mol
    Molecular Formula C16H26ClNO2
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count6
    Exact Mass299.1652068 g/mol
    Monoisotopic Mass299.1652068 g/mol
    Topological Polar Surface Area55.5 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity241
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Drug and Medication Information
    4.1 Drug Indication

    Treatment of Stargardt disease