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    Fasudil Hydrochloride Hydrate

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
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    2D Structure
    Also known as: 186694-02-0, Fasudil hydrochloride hemihydrate, Eril-s, Fasudil hcl semihydrate, Fasudil hydrochloride hydrate [jan], Li4l0r5y7t
    Molecular Formula
    C28H38Cl2N6O5S2
    Molecular Weight
    673.7  g/mol
    InChI Key
    AACOJGPCMIDLEY-UHFFFAOYSA-N
    FDA UNII
    LI4L0R5Y7T
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-(1,4-diazepan-1-ylsulfonyl)isoquinoline;hydrate;dihydrochloride
    2.1.2 InChI
    InChI=1S/2C14H17N3O2S.2ClH.H2O/c2*18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14;;;/h2*1,3-5,7,11,15H,2,6,8-10H2;2*1H;1H2
    2.1.3 InChI Key
    AACOJGPCMIDLEY-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3.C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3.O.Cl.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    LI4L0R5Y7T
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 186694-02-0

    2. Fasudil Hydrochloride Hemihydrate

    3. Eril-s

    4. Fasudil Hcl Semihydrate

    5. Fasudil Hydrochloride Hydrate [jan]

    6. Li4l0r5y7t

    7. 5-(hexahydro-1h-1,4-diazepine-1-ylsulfonyl)isoquinoline Hydrochloride Hemihydrate

    8. 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline;hydrate;dihydrochloride

    9. 5-((1,4-diazepan-1-yl)sulfonyl)isoquinoline Hydrochloride Hemihydrate

    10. 1h-1,4-diazepine, Hexahydro-1-(5-isoquinolinylsulfonyl)-, Monohydrochloride, Hydrate (2:1)

    11. Isoquinoline, 5-((hexahydro-1h-1,4-diazepin-1-yl)sulfonyl)-, Hydrochloride, Hydrate (2:2:1)

    12. Fasudil Hydrochloride Hydrate (jan)

    13. 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline,hydrate,dihydrochloride;5-(1,4-diazepan-1-ylsulfonyl)isoquinoline,hydrate,dihydrochloride

    14. Hexahydro-1-(5-isoquinolinesulfonyl)-1h-1,4-diazepine Monohydrochloride Hemihydrate;hexahydro-1-(5-isoquinolinesulfonyl)-1h-1,4-diazepine Monohydrochloride Hemihydrate

    15. Unii-li4l0r5y7t

    16. Fasudil Hcl Hemihydrate

    17. Eril-s (tn)

    18. Dtxsid80171929

    19. Chebi:180695

    20. Fasudil (hydrochloride Semihydrate)

    21. Bcp30939

    22. D03115

    23. F74621

    24. A899480

    25. Q27282992

    26. 5-((1,4-diazepan-1-yl)sulfonyl)isoquinolinehydrochloridehemihydrate

    27. 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline Hydrochloride Hydrate (2:2:1)

    28. 5-(1,4-diazepane-1-sulfonyl)isoquinoline--hydrogen Chloride--water (2/2/1)

    29. Fasudil Hydrochloride Hemihydrate;fasudil Hcl Semihydrate;ha-1077; Ha1077; Ha 1077

    2.4 Create Date
    2008-02-08
    3 Chemical and Physical Properties
    Molecular Weight 673.7 g/mol
    Molecular Formula C28H38Cl2N6O5S2
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count4
    Exact Mass672.1722161 g/mol
    Monoisotopic Mass672.1722161 g/mol
    Topological Polar Surface Area142 Ų
    Heavy Atom Count43
    Formal Charge0
    Complexity421
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count5