Please Wait
Applying Filters...
menu
    • menu
    Suanfarma, at the Core of a Better Life.

    Virtual Booth

    Contact Supplier

    Bloomage is a one-stop source for CEP Sodium Hyaluronate and Hyaluronic Acid// FDA-inspected & GMP-certified.

    Virtual Booth

    Contact Supplier

    Egis is a Hungarian generic pharma company with 110 years history. Our activities incorporate all areas of the pharma value chain.

    Virtual Booth

    Contact Supplier

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

    Virtual Booth

    Contact Supplier

    Transo-Pharm GmbH works globally to supply Active Pharmaceutical Ingredients adhering to the highest quality & GMP standards.

    Virtual Booth

    Contact Supplier

    xyz-pharma-m-2025-01-20

    Virtual Booth

    Contact Supplier

    Menu

    Edasalonexent

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: 1204317-86-1, Cat-1004, Edasalonexent [inn], Edasalonexent [usan], Af3z6434ks, Cat 1004
    Molecular Formula
    C31H42N2O3
    Molecular Weight
    490.7  g/mol
    InChI Key
    JQLBBYLGWHUHRW-KUBAVDMBSA-N
    FDA UNII
    AF3Z6434KS
    Edasalonexent is under investigation in clinical trial NCT01511900 (A Multiple Ascending Dose Study of CAT-1004 in Patients With Type 2 Diabetes).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethyl]-2-hydroxybenzamide
    2.1.2 InChI
    InChI=1S/C31H42N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-30(35)32-26-27-33-31(36)28-23-21-22-24-29(28)34/h3-4,6-7,9-10,12-13,15-16,18-19,21-24,34H,2,5,8,11,14,17,20,25-27H2,1H3,(H,32,35)(H,33,36)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
    2.1.3 InChI Key
    JQLBBYLGWHUHRW-KUBAVDMBSA-N
    2.1.4 Canonical SMILES
    CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)NCCNC(=O)C1=CC=CC=C1O
    2.1.5 Isomeric SMILES
    CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCNC(=O)C1=CC=CC=C1O
    2.2 Other Identifiers
    2.2.1 UNII
    AF3Z6434KS
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Cat-1004

    2.3.2 Depositor-Supplied Synonyms

    1. 1204317-86-1

    2. Cat-1004

    3. Edasalonexent [inn]

    4. Edasalonexent [usan]

    5. Af3z6434ks

    6. Cat 1004

    7. N-[2-[[(4z,7z,10z,13z,16z,19z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethyl]-2-hydroxybenzamide

    8. Benzamide, 2-hydroxy-n-(2-(((4z,7z,10z,13z,16z,19z)-1-oxo-4,7,10,13,16,19-docosahexaen-1-yl)amino)ethyl)-

    9. Unii-af3z6434ks

    10. Amy350

    11. Schembl1823117

    12. Chembl3786673

    13. Who 10223

    14. Db15010

    15. Hy-17630

    16. Cs-0016786

    17. Q27273902

    18. N-(2-((4z,7z,10z,13z,16z,19z)-docosa-4,7,10,13,16,19-hexaenamido)ethyl)-2-hydroxybenzamide

    19. N-(2-(4z,7z,10z,13z,16z,19z)-docosa-4,7,10,13,16, 19-hexaenamidoethyl)-2-hydroxybenzamide

    20. N-(2-(4z,7z,10z,13z,16z,19z)-docosa-4,7,10,13,16,19-hexaenamidoethyl)-2-hydroxybenzamide

    2.4 Create Date
    2010-03-01
    3 Chemical and Physical Properties
    Molecular Weight 490.7 g/mol
    Molecular Formula C31H42N2O3
    XLogP37.1
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count18
    Exact Mass490.31954321 g/mol
    Monoisotopic Mass490.31954321 g/mol
    Topological Polar Surface Area78.4 Ų
    Heavy Atom Count36
    Formal Charge0
    Complexity762
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count6
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1