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    BETIATIDE

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

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    2D Structure
    Also known as: 103725-47-9, S-benzoylmercaptoacetyltriglycine, Mp-600, 9nv2sr34p8, Betiatide (usan), Glycine, n-(n-(n-((benzoylthio)acetyl)glycyl)glycyl)
    Molecular Formula
    C15H17N3O6S
    Molecular Weight
    367.4  g/mol
    InChI Key
    VDPYMEBVIDZKMD-UHFFFAOYSA-N
    FDA UNII
    9NV2SR34P8
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[[2-[[2-[(2-benzoylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid
    2.1.2 InChI
    InChI=1S/C15H17N3O6S/c19-11(16-6-12(20)18-8-14(22)23)7-17-13(21)9-25-15(24)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,16,19)(H,17,21)(H,18,20)(H,22,23)
    2.1.3 InChI Key
    VDPYMEBVIDZKMD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)C(=O)SCC(=O)NCC(=O)NCC(=O)NCC(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    9NV2SR34P8
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. S-benzoyl-mag3

    2. S-benzoylmercaptoacetyltriglycine

    2.3.2 Depositor-Supplied Synonyms

    1. 103725-47-9

    2. S-benzoylmercaptoacetyltriglycine

    3. Mp-600

    4. 9nv2sr34p8

    5. Betiatide (usan)

    6. Glycine, N-(n-(n-((benzoylthio)acetyl)glycyl)glycyl)

    7. Ncgc00182993-01

    8. Betiatide [usan]

    9. Glycine, N-(n-(n-((benzoylthio)acetyl)glycyl)glycyl)-

    10. N-(n-(n-(mercaptoacetyl)glycyl)glycyl)glycine Benzoate (ester)

    11. Thiobenzoic Acid, S-ester With N-(n-(n-(mercaptoacetyl)glycyl)glycyl)glycine

    12. Unii-9nv2sr34p8

    13. Betiatide [usan:inn:ban]

    14. S-benzoyl-mag3

    15. S-benzoyl Mag3

    16. Mp 600

    17. Benzoylmercaptoacetylglycylglycylglycine

    18. Betiatide [inn]

    19. Betiatide [who-dd]

    20. 2-[[2-[[2-[(2-benzoylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic Acid

    21. Dsstox_cid_28714

    22. Dsstox_rid_82983

    23. Dsstox_gsid_48788

    24. S-benzylmercaptoacetyltriglycine

    25. Schembl1055212

    26. Chembl3183117

    27. Dtxsid3048788

    28. Chebi:136015

    29. Zinc6095847

    30. Tox21_113265

    31. Mfcd00868930

    32. Akos016340732

    33. S-benzoyl-mag-3 > 95 %

    34. Db14082

    35. Fc-2081

    36. Ss-4620

    37. Cas-103725-47-9

    38. Ft-0716153

    39. N-[(benzoylthio)-acetyl]glycylglycyl-glycine

    40. N-[2-(benzoylthio)acetyl]-gly-gly-gly-oh

    41. D03105

    42. Q27272797

    43. 1,4,7,10-tetraoxo-1-phenyl-2-thia-5,8,11-triazatridecan-13-oic Acid

    2.4 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 367.4 g/mol
    Molecular Formula C15H17N3O6S
    XLogP3-0.1
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count10
    Exact Mass367.08380644 g/mol
    Monoisotopic Mass367.08380644 g/mol
    Topological Polar Surface Area167 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity519
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1