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    Chemistry

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    Also known as: 254877-67-3, Hmr-1766, Ataciguat [inn], Hmr1766, Qp166m390q, 5-chloro-2-[(5-chlorothiophen-2-yl)sulfonylamino]-n-(4-morpholin-4-ylsulfonylphenyl)benzamide
    Molecular Formula
    C21H19Cl2N3O6S3
    Molecular Weight
    576.5  g/mol
    InChI Key
    PQHLRGARXNPFCF-UHFFFAOYSA-N
    FDA UNII
    QP166M390Q
    Ataciguat
    Ataciguat has been investigated for the basic science of Aortic Valve Stenosis.
    1 2D Structure

    Ataciguat

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-chloro-2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
    2.1.2 InChI
    InChI=1S/C21H19Cl2N3O6S3/c22-14-1-6-18(25-34(28,29)20-8-7-19(23)33-20)17(13-14)21(27)24-15-2-4-16(5-3-15)35(30,31)26-9-11-32-12-10-26/h1-8,13,25H,9-12H2,(H,24,27)
    2.1.3 InChI Key
    PQHLRGARXNPFCF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)Cl)NS(=O)(=O)C4=CC=C(S4)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    QP166M390Q
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 5-chloro-2-(5-chlorothiophene-2-sulfonylamino)-n-(4-(morpholine-4-sulfonyl)phenyl)benzamide

    2. Hmr 1766

    3. Hmr-1766

    4. Hmr1766

    2.3.2 Depositor-Supplied Synonyms

    1. 254877-67-3

    2. Hmr-1766

    3. Ataciguat [inn]

    4. Hmr1766

    5. Qp166m390q

    6. 5-chloro-2-[(5-chlorothiophen-2-yl)sulfonylamino]-n-(4-morpholin-4-ylsulfonylphenyl)benzamide

    7. 5-chloro-2-[[(5-chloro-2-thienyl)sulfonyl]amino]-n-[4-(4-morpholinylsulfonyl)phenyl]benzamide

    8. 5-chloro-2-((5-chloro-2-thienyl)sulfonylamino)-n-(4-(morpholin-4-ylsulfonyl)phenyl)benzamide

    9. Dsstox_cid_28672

    10. Dsstox_rid_82942

    11. Dsstox_gsid_48746

    12. Hmr 1766

    13. Cas-254877-67-3

    14. Unii-qp166m390q

    15. 5-chloro-2-(5-chlorothiophene-2-sulfonylamino)-n-(4-(morpholine-4-sulfonyl)phenyl)benzamide

    16. Ataciguat [who-dd]

    17. Schembl491675

    18. Gtpl5141

    19. Chembl2107729

    20. Dtxsid7048746

    21. Zinc3612878

    22. Tox21_113203

    23. Tox21_113203_1

    24. Db12805

    25. Sb16944

    26. Ncgc00249417-01

    27. Ncgc00249417-02

    28. Hy-17500

    29. Cs-0009242

    30. Ft-0662311

    31. A911275

    32. J-016012

    33. Q27074574

    34. 5-chloro-2-(5-chlorothiophene-2-sulfonamido)-n-[4-(morpholine-4-sulfonyl)phenyl]benzamide

    2.4 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 576.5 g/mol
    Molecular Formula C21H19Cl2N3O6S3
    XLogP34.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count7
    Exact Mass574.9813042 g/mol
    Monoisotopic Mass574.9813042 g/mol
    Topological Polar Surface Area167 Ų
    Heavy Atom Count35
    Formal Charge0
    Complexity944
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Enzyme Activators

    Compounds or factors that act on a specific enzyme to increase its activity. (See all compounds classified as Enzyme Activators.)

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