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    Disofenin

    FINISHED DOSAGE FORMULATIONS

    PharmaCompass
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    2D Structure
    Also known as: 65717-97-7, N-(2,6-diisopropylphenylcarbamoylmethyl)iminodiacetic acid, Disida; disofenin, N-(2,6-diisopropylphenyl-carbamoylmethyl)iminodiacetic acid, 2-[carboxymethyl-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]amino]acetic acid, 4v891lh5nb
    Molecular Formula
    C18H26N2O5
    Molecular Weight
    350.4  g/mol
    InChI Key
    UDUSOMRJOPCWHT-UHFFFAOYSA-N
    FDA UNII
    4V891LH5NB
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[carboxymethyl-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]amino]acetic acid
    2.1.2 InChI
    InChI=1S/C18H26N2O5/c1-11(2)13-6-5-7-14(12(3)4)18(13)19-15(21)8-20(9-16(22)23)10-17(24)25/h5-7,11-12H,8-10H2,1-4H3,(H,19,21)(H,22,23)(H,24,25)
    2.1.3 InChI Key
    UDUSOMRJOPCWHT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CN(CC(=O)O)CC(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    4V891LH5NB
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 65717-97-7

    2. N-(2,6-diisopropylphenylcarbamoylmethyl)iminodiacetic Acid

    3. Disida; Disofenin

    4. N-(2,6-diisopropylphenyl-carbamoylmethyl)iminodiacetic Acid

    5. 2-[carboxymethyl-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]amino]acetic Acid

    6. 4v891lh5nb

    7. ((((2,6-diisopropylphenyl)carbamoyl)methyl)imino)diacetic Acid

    8. N-[[2,6-diisopropylphenylcarbamoyl]methyl]imino

    9. Glycine, N-(2-((2,6-bis(1-methylethyl)phenyl)amino)-2-oxoethyl)-n-(carboxymethyl)-

    10. Disofenine

    11. Disofenino

    12. Disofeninum

    13. 2,2'-((2-((2,6-diisopropylphenyl)amino)-2-oxoethyl)azanediyl)diacetic Acid

    14. Dsida

    15. Disofenine [inn-french]

    16. Disofeninum [inn-latin]

    17. Disofenino [inn-spanish]

    18. Unii-4v891lh5nb

    19. Disofenin [usan:inn:ban]

    20. Disofenin [inn]

    21. Disofenin [ii]

    22. Disofenin [mi]

    23. Disofenin (usan/inn)

    24. Disofenin [usan]

    25. Disofenin [vandf]

    26. Mls006010642

    27. Schembl135703

    28. Zinc1317

    29. Chembl1615780

    30. Dtxsid90215924

    31. Chebi:135480

    32. Mfcd00056689

    33. Akos017343112

    34. Smr001550304

    35. Ft-0629092

    36. D03873

    37. Sr-01000944437

    38. Sr-01000944437-1

    39. Q27260556

    40. 2,2'-((2-((2,6-diisopropylphenyl)amino)-2-oxoethyl)azanediyl)diaceticacid

    41. 2,2'-(2-(2,6-diisopropylphenylamino)-2-oxoethylazanediyl)diacetic Acid

    42. 2-[carboxymethyl-[2-(2,6-diisopropylanilino)-2-oxo-ethyl]amino]acetic Acid

    43. N-2(2,6-diisopropylphenyl-carbamoylmethyl)iminodiacetic Acid (disofenin

    44. Disofenin, Disofenin (n-(2,6-diisopropylphenyl-carbamoylmethyl)-iminodiacetic Acid)

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 350.4 g/mol
    Molecular Formula C18H26N2O5
    XLogP3-0.6
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count9
    Exact Mass350.18417193 g/mol
    Monoisotopic Mass350.18417193 g/mol
    Topological Polar Surface Area107 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity446
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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