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    Chemistry

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    Also known as: Ag-348 sulfate hydrate, Mitapivat sulfate [usan], N4jta67v3o, Pyrukynd, Ag-348 hemisulfate sesquihydrate, Mitapivat sulfate (usan)
    Molecular Formula
    C48H60N8O13S3
    Molecular Weight
    1053.2  g/mol
    InChI Key
    DMRIPASJCJRBMV-UHFFFAOYSA-N
    FDA UNII
    N4JTA67V3O
    Mitapivat
    1 2D Structure

    Mitapivat

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;sulfuric acid;trihydrate
    2.1.2 InChI
    InChI=1S/2C24H26N4O3S.H2O4S.3H2O/c2*29-24(28-15-13-27(14-16-28)17-18-6-7-18)20-8-10-21(11-9-20)26-32(30,31)22-5-1-3-19-4-2-12-25-23(19)22;1-5(2,3)4;;;/h2*1-5,8-12,18,26H,6-7,13-17H2;(H2,1,2,3,4);3*1H2
    2.1.3 InChI Key
    DMRIPASJCJRBMV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC1CN2CCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5.C1CC1CN2CCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5.O.O.O.OS(=O)(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    N4JTA67V3O
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 8-quinolinesulfonamide, N-(4-((4-(cyclopropylmethyl)-1-piperazinyl)carbonyl)phenyl)-

    2. Ag-348

    3. Mitapivat

    4. Mitapivat Hemisulfate Sesquihydrate

    5. N-(4-((4-(cyclopropylmethyl)-1-piperazinyl)carbonyl)phenyl)-8-quinolinesulfonamide

    6. N-(4-(4-(cyclopropylmethyl)piperazine-1-carbonyl)phenyl)quinoline-8-sulfonamide

    7. Pyrukynd

    2.3.2 Depositor-Supplied Synonyms

    1. Ag-348 Sulfate Hydrate

    2. Mitapivat Sulfate [usan]

    3. N4jta67v3o

    4. Pyrukynd

    5. Ag-348 Hemisulfate Sesquihydrate

    6. Mitapivat Sulfate (usan)

    7. 2151847-10-6

    8. 8-quinolinesulfonamide, N-(4-((4-(cyclopropylmethyl)-1-piperazinyl)carbonyl)phenyl)-, Sulfate, Hydrate (2:1:3)

    9. N-(4-(4-(cyclopropylmethyl)piperazine-1-carbonyl)phenyl)quinoline-8-sulfonamide Sulfate Hydrate (2:1:3)

    10. Unii-n4jta67v3o

    11. Chembl4297223

    12. Mitapivat Hemisulfate Sesquihydrate

    13. D11408

    2.4 Create Date
    2018-08-12
    3 Chemical and Physical Properties
    Molecular Weight 1053.2 g/mol
    Molecular Formula C48H60N8O13S3
    Hydrogen Bond Donor Count7
    Hydrogen Bond Acceptor Count19
    Rotatable Bond Count12
    Exact Mass1052.34419752 g/mol
    Monoisotopic Mass1052.34419752 g/mol
    Topological Polar Surface Area268 Ų
    Heavy Atom Count72
    Formal Charge0
    Complexity831
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count6
    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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