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    Adelmidrol

    PharmaCompass
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    2D Structure
    Also known as: 1675-66-7, N,n'-bis(2-hydroxyethyl)nonanediamide, Adelmidrol [inn], Adelmitrol, Nsc-27132, 1buc3685qu
    Molecular Formula
    C13H26N2O4
    Molecular Weight
    274.36  g/mol
    InChI Key
    PAHZPHDAJQIETD-UHFFFAOYSA-N
    FDA UNII
    1BUC3685QU
    Adelmidrol is under investigation in clinical trial NCT01420510 (Saginil in vs. Placebo for Gynecologic Oncology Patients Affected by Vaginitis).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N,N'-bis(2-hydroxyethyl)nonanediamide
    2.1.2 InChI
    InChI=1S/C13H26N2O4/c16-10-8-14-12(18)6-4-2-1-3-5-7-13(19)15-9-11-17/h16-17H,1-11H2,(H,14,18)(H,15,19)
    2.1.3 InChI Key
    PAHZPHDAJQIETD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C(CCCC(=O)NCCO)CCCC(=O)NCCO
    2.2 Other Identifiers
    2.2.1 UNII
    1BUC3685QU
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. N,n'-bis(2-hydroxyethyl)nonanediamide

    2.3.2 Depositor-Supplied Synonyms

    1. 1675-66-7

    2. N,n'-bis(2-hydroxyethyl)nonanediamide

    3. Adelmidrol [inn]

    4. Adelmitrol

    5. Nsc-27132

    6. 1buc3685qu

    7. Unii-1buc3685qu

    8. Nonanediamide, N,n'-bis(2-hydroxyethyl)-

    9. Adelmidrol [who-dd]

    10. Schembl636771

    11. Chembl2105967

    12. Dtxsid10168302

    13. Baa67566

    14. Bcp24910

    15. Ex-a1239

    16. Hy-b1026

    17. Nsc27132

    18. Zinc4538773

    19. Nsc 27132

    20. S6551

    21. Akos028111150

    22. Ccg-213729

    23. Cs-4543

    24. As-56183

    25. Ft-0778179

    26. C73226

    27. Ab01563184_01

    28. Sr-01000944279

    29. Sr-01000944279-1

    30. Q15633949

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 274.36 g/mol
    Molecular Formula C13H26N2O4
    XLogP3-0.3
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count12
    Exact Mass274.18925731 g/mol
    Monoisotopic Mass274.18925731 g/mol
    Topological Polar Surface Area98.7 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity223
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1