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    Technical details about 4CH-018104, learn more about the structure, uses, toxicity, action, side effects and more

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    4CH-018104

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    Bora Pharmaceuticals- Making success more certain.

    AbbVie CDMO has been working with global companies to develop, manufacture & scale biopharmaceutical products.

    2D Structure
    1. Also known as: 625120-81-2, 3-(n-methylpentylamino)propionic acid hydrochloride, Ibanic acid hydrochloride, 3-(n-methylpentylamino)propionic acid hcl, 3-[methyl(pentyl)amino]propanoic acid hydrochloride, 3-[methyl(pentyl)amino]propanoic acid;hydrochloride
    Molecular Formula
    C9H20ClNO2
    Molecular Weight
    209.71  g/mol
    InChI Key
    YDWXRULMHQZBEX-UHFFFAOYSA-N
    FDA UNII
    E7FT72BUU1
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[methyl(pentyl)amino]propanoic acid;hydrochloride
    2.1.2 InChI
    InChI=1S/C9H19NO2.ClH/c1-3-4-5-7-10(2)8-6-9(11)12;/h3-8H2,1-2H3,(H,11,12);1H
    2.1.3 InChI Key
    YDWXRULMHQZBEX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCCN(C)CCC(=O)O.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    E7FT72BUU1
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 625120-81-2

    2. 3-(n-methylpentylamino)propionic Acid Hydrochloride

    3. Ibanic Acid Hydrochloride

    4. 3-(n-methylpentylamino)propionic Acid Hcl

    5. 3-[methyl(pentyl)amino]propanoic Acid Hydrochloride

    6. 3-[methyl(pentyl)amino]propanoic Acid;hydrochloride

    7. E7ft72buu1

    8. 3-(n-methylpentylamino)propionic Acid, Hcl

    9. Mfcd08275216

    10. Ibandronate Intermediate

    11. Unii-e7ft72buu1

    12. 3-(n-methylpentylamino)propionicacidhydrochloride

    13. Ibandronic Acid Impurity Hcl

    14. Schembl369126

    15. Ibandronate Related Compound A

    16. 3-(n-methyl-n-pentylamino)propionic Acid Hydrochloride

    17. Dtxsid20587383

    18. Bcp13803

    19. Akos015900387

    20. Ac-25861

    21. As-15812

    22. Ibandronic Acid Related Compound A [usp]

    23. Sy104810

    24. 3-(methyl(pentyl)amino)propanoic Acid Hcl

    25. N-methyl-n-pentyl-beta-alaninehydrochloride

    26. 3-(n-methylpentylamino) Propionic Acid Hcl

    27. Cs-0152136

    28. Ft-0648280

    29. Ft-0672086

    30. Ibandronic Acid Related Compound A [usp-rs]

    31. N-methyl-n-pentyl-beta-alanine Hydrochloride

    32. B-alanine, N-methyl-n-pentyl-, Hydrochloride

    33. D81790

    34. Ibandronate Related Compound A [usp-rs]

    35. 120m812

    36. J-510919

    37. 3-(n-methyl-n-pentylamino)propanoic Acid Hydrochloride

    38. Beta-alanine, N-methyl-n-pentyl-, Hydrochloride (1:1)

    39. Ibandronic Acid Related Compound A [usp Impurity]

    40. N-methyl-n-pentyl-beta-alanine--hydrogen Chloride (1/1)

    41. .beta.-alanine, N-methyl-n-pentyl-, Hydrochloride (1:1)

    2.4 Create Date
    2007-09-10
    3 Chemical and Physical Properties
    Molecular Weight 209.71 g/mol
    Molecular Formula C9H20ClNO2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count7
    Exact Mass209.1182566 g/mol
    Monoisotopic Mass209.1182566 g/mol
    Topological Polar Surface Area40.5 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity126
    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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