Please Wait
Applying Filters...
menu
    • menu
    Mission CDMO team brings reliability, resourcefulness, & responsiveness in executing your development project.

    Virtual Booth

    Contact Supplier

    Bora Pharmaceuticals- Making success more certain.

    Virtual Booth

    Contact Supplier

    xyz-pharma-m-2024-10-07

    Virtual Booth

    Contact Supplier

    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    Virtual Booth

    Contact Supplier

    Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

    Virtual Booth

    Contact Supplier

    xyz-pharma-m-2024-10-07

    Virtual Booth

    Contact Supplier

    Menu

    Otenaproxesul

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: 1226895-20-0, Atb-346, Atb 346, Otenaproxesul, (s)-atb-346, 3096o7wp53
    Molecular Formula
    C21H19NO3S
    Molecular Weight
    365.4  g/mol
    InChI Key
    YCNMAPLPQYQJFC-UHFFFAOYSA-N
    FDA UNII
    3096O7WP53
    ATB-346 is under investigation in clinical trial NCT03220633 (Study To Assess Safety, Tolerability And PK Of ATB-346 In Healthy Subjects).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4-carbamothioylphenyl) 2-(6-methoxynaphthalen-2-yl)propanoate
    2.1.2 InChI
    InChI=1S/C21H19NO3S/c1-13(21(23)25-18-8-5-14(6-9-18)20(22)26)15-3-4-17-12-19(24-2)10-7-16(17)11-15/h3-13H,1-2H3,(H2,22,26)
    2.1.3 InChI Key
    YCNMAPLPQYQJFC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OC3=CC=C(C=C3)C(=S)N
    2.2 Other Identifiers
    2.2.1 UNII
    3096O7WP53
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-(6-methoxy-napthalen-2-yl)-propionic Acid 4-thiocarbamoyl-phenyl Ester

    2. Atb-346

    2.3.2 Depositor-Supplied Synonyms

    1. 1226895-20-0

    2. Atb-346

    3. Atb 346

    4. Otenaproxesul

    5. (s)-atb-346

    6. 3096o7wp53

    7. (4-carbamothioylphenyl) 2-(6-methoxynaphthalen-2-yl)propanoate

    8. 2-naphthaleneacetic Acid, 6-methoxy-alpha-methyl-, 4-(aminothioxomethyl)phenyl Ester

    9. Atb346

    10. 4-carbamothioylphenyl 2-(6-methoxynaphthalen-2-yl)propanoate.

    11. Unii-3096o7wp53

    12. Abt-346

    13. Schembl2883303

    14. Chembl4211107

    15. Otenaproxesul, (+/-)-

    16. Dtxsid201336751

    17. Bcp09624

    18. Bzb89520

    19. Ex-a1790

    20. Mfcd19443776

    21. Akos025405101

    22. Db15377

    23. Sb16824

    24. Ncgc00386745-04

    25. Ac-35902

    26. Da-35319

    27. Hy-15028

    28. B3584

    29. Ft-0706066

    30. S6615

    31. Q27255936

    32. 4-(aminocarbothioyl)phenyl 2-(6-methoxy-2-naphthyl)propanoate

    33. 4-thiocarbamoylphenyl 2-(2-methoxynaphthalen-6-yl)propanoate

    34. 2-(6-methoxy-napthalen-2-yl)-propionic Acid 4-thiocarbamoyl-phenyl Ester

    35. 2-naphthaleneacetic Acid, 6-methoxy-.alpha.-methyl-, 4-(aminothioxomethyl)phenyl Ester

    2.4 Create Date
    2008-12-01
    3 Chemical and Physical Properties
    Molecular Weight 365.4 g/mol
    Molecular Formula C21H19NO3S
    XLogP34.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count6
    Exact Mass365.10856464 g/mol
    Monoisotopic Mass365.10856464 g/mol
    Topological Polar Surface Area93.6 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity504
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1