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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

    API Reference Price

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    26-Mar-2021
    23-Oct-2024
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