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    Technical details about Sulcardine Sulfate, learn more about the structure, uses, toxicity, action, side effects and more

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    Sulcardine Sulfate

    DEVELOPMENTS

    PharmaCompass

    Biopharma Group offers CDMO services with expertise in contract R&D for dried products & liquid formulations.

    Rochem, your partner in developing, sourcing, and supplying pharmaceutical & animal health ingredients of Chinese origin.

    2D Structure
    1. Also known as: Sulcardine sulfate anhydrous, Hbi-3000, 4ndn0njz62, 343935-61-5, Benzenesulfonamide, n-((4-hydroxy-3,5-bis(1-pyrrolidinylmethyl)phenyl)methyl)-4-methoxy-, sulfate (1:1), Unii-4ndn0njz62
    Molecular Formula
    C24H35N3O8S2
    Molecular Weight
    557.7  g/mol
    InChI Key
    BQCSIJGCWZAHPG-UHFFFAOYSA-N
    FDA UNII
    4NDN0NJZ62
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[[4-hydroxy-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-methoxybenzenesulfonamide;sulfuric acid
    2.1.2 InChI
    InChI=1S/C24H33N3O4S.H2O4S/c1-31-22-6-8-23(9-7-22)32(29,30)25-16-19-14-20(17-26-10-2-3-11-26)24(28)21(15-19)18-27-12-4-5-13-27;1-5(2,3)4/h6-9,14-15,25,28H,2-5,10-13,16-18H2,1H3;(H2,1,2,3,4)
    2.1.3 InChI Key
    BQCSIJGCWZAHPG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CC=C(C=C1)S(=O)(=O)NCC2=CC(=C(C(=C2)CN3CCCC3)O)CN4CCCC4.OS(=O)(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    4NDN0NJZ62
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Hbi-3000

    2.3.2 Depositor-Supplied Synonyms

    1. Sulcardine Sulfate Anhydrous

    2. Hbi-3000

    3. 4ndn0njz62

    4. 343935-61-5

    5. Benzenesulfonamide, N-((4-hydroxy-3,5-bis(1-pyrrolidinylmethyl)phenyl)methyl)-4-methoxy-, Sulfate (1:1)

    6. Unii-4ndn0njz62

    7. Chembl4594410

    8. Schembl19134053

    9. 343935-61-5 (sulfate)

    10. N-(4-hydroxy-3,5-bis(pyrrolidin-1-ylmethyl)benzyl)-4-methoxybenzenesulfonamide Sulfate

    11. N-[[4-hydroxy-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-methoxybenzenesulfonamide;sulfuric Acid

    2.4 Create Date
    2007-04-23
    3 Chemical and Physical Properties
    Molecular Weight 557.7 g/mol
    Molecular Formula C24H35N3O8S2
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count9
    Exact Mass557.18655743 g/mol
    Monoisotopic Mass557.18655743 g/mol
    Topological Polar Surface Area174 Ų
    Heavy Atom Count37
    Formal Charge0
    Complexity719
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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