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    Chemistry

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    Also known as: 1422144-42-0, Ar-13324 mesylate, Netarsudil dimesylate, Ar-13324 (mesylate), Netarsudil mesilate, Netarsudil mesylate [usan]
    Molecular Formula
    C30H35N3O9S2
    Molecular Weight
    645.7  g/mol
    InChI Key
    QQDRLKRHJOAQDC-FBHGDYMESA-N
    FDA UNII
    VL756B1K0U
    Netarsudil Mesylate
    1 2D Structure

    Netarsudil Mesylate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [4-[(2S)-3-amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl]phenyl]methyl 2,4-dimethylbenzoate;methanesulfonic acid
    2.1.2 InChI
    InChI=1S/C28H27N3O3.2CH4O3S/c1-18-3-10-25(19(2)13-18)28(33)34-17-20-4-6-21(7-5-20)26(15-29)27(32)31-24-9-8-23-16-30-12-11-22(23)14-24;2*1-5(2,3)4/h3-14,16,26H,15,17,29H2,1-2H3,(H,31,32);2*1H3,(H,2,3,4)/t26-;;/m1../s1
    2.1.3 InChI Key
    QQDRLKRHJOAQDC-FBHGDYMESA-N
    2.1.4 Canonical SMILES
    CC1=CC(=C(C=C1)C(=O)OCC2=CC=C(C=C2)C(CN)C(=O)NC3=CC4=C(C=C3)C=NC=C4)C.CS(=O)(=O)O.CS(=O)(=O)O
    2.1.5 Isomeric SMILES
    CC1=CC(=C(C=C1)C(=O)OCC2=CC=C(C=C2)[C@@H](CN)C(=O)NC3=CC4=C(C=C3)C=NC=C4)C.CS(=O)(=O)O.CS(=O)(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    VL756B1K0U
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Ar-13324

    2. Netarsudil

    2.3.2 Depositor-Supplied Synonyms

    1. 1422144-42-0

    2. Ar-13324 Mesylate

    3. Netarsudil Dimesylate

    4. Ar-13324 (mesylate)

    5. Netarsudil Mesilate

    6. Netarsudil Mesylate [usan]

    7. Ar-13324

    8. Vl756b1k0u

    9. Netarsudil Mesylate (usan)

    10. (4-((1s)-1-(aminomethyl)-2-(isoquinolin-6-ylamino)-2-oxoethyl)phenyl)methyl 2,4-dimethylbenzoate, Dimethanesulfonate

    11. [4-[(2s)-3-amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl]phenyl]methyl 2,4-dimethylbenzoate;methanesulfonic Acid

    12. Benzoic Acid, 2,4-dimethyl-, (4-((1s)-1-(aminomethyl)-2-(6-isoquinolinylamino)-2-oxoethyl)phenyl)methyl Ester, Methanesulfonate (1:2)

    13. (s)-4-(3-amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl)benzyl 2,4-dimethylbenzoate Dimethanesulfonate

    14. Unii-vl756b1k0u

    15. Rhopressa (tn)

    16. Netarsudil(mesylate)

    17. Chembl4594251

    18. Schembl16037872

    19. Dtxsid301027773

    20. Netarsudil Dimesylate [mi]

    21. Bcp24703

    22. Ex-a2451

    23. Xgc14442

    24. Hy-12798a

    25. Netarsudil Mesilate [who-dd]

    26. Cs-4515

    27. Netarsudil Mesylate [orange Book]

    28. Ac-31225

    29. Ar-13324 Mesylate; Netarsudil Mesylate

    30. Netarsudil Dimesylate [orange Book]

    31. C72658

    32. D11031

    33. Rocklatan Component Netarsudil Dimesylate

    34. Netarsudil Dimesylate Component Of Rocklatan

    35. Q27291880

    2.4 Create Date
    2015-02-13
    3 Chemical and Physical Properties
    Molecular Weight 645.7 g/mol
    Molecular Formula C30H35N3O9S2
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count8
    Exact Mass645.18147205 g/mol
    Monoisotopic Mass645.18147205 g/mol
    Topological Polar Surface Area220 Ų
    Heavy Atom Count44
    Formal Charge0
    Complexity770
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3

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    25-May-2021
    04-Oct-2022
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