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    Ivospemin

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
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    2D Structure
    Also known as: Ivospemin [inn], 775s1nc70i, (6s,15s)-3,8,13,18-tetraazaeicosane-6,15-diol, 3,8,13,18-tetraazaeicosane-6,15-diol, (6s,15s)-, Sbp-101, 748119-79-1
    Molecular Formula
    C16H38N4O2
    Molecular Weight
    318.50  g/mol
    InChI Key
    AFXLPCNTPZQBIC-HOTGVXAUSA-N
    FDA UNII
    775S1NC70I
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-4-(ethylamino)-1-[4-[[(2S)-4-(ethylamino)-2-hydroxybutyl]amino]butylamino]butan-2-ol
    2.1.2 InChI
    InChI=1S/C16H38N4O2/c1-3-17-11-7-15(21)13-19-9-5-6-10-20-14-16(22)8-12-18-4-2/h15-22H,3-14H2,1-2H3/t15-,16-/m0/s1
    2.1.3 InChI Key
    AFXLPCNTPZQBIC-HOTGVXAUSA-N
    2.1.4 Canonical SMILES
    CCNCCC(CNCCCCNCC(CCNCC)O)O
    2.1.5 Isomeric SMILES
    CCNCC[C@@H](CNCCCCNC[C@H](CCNCC)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    775S1NC70I
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Ivospemin [inn]

    2. 775s1nc70i

    3. (6s,15s)-3,8,13,18-tetraazaeicosane-6,15-diol

    4. 3,8,13,18-tetraazaeicosane-6,15-diol, (6s,15s)-

    5. Sbp-101

    6. 748119-79-1

    7. Ivospemin [usan]

    8. Chembl80386

    9. Unii-775s1nc70i

    10. Schembl21222685

    11. Sun-101

    12. Nsc793107

    13. Who 11895

    14. Nsc-793107

    15. Hy-132822

    16. Cs-0204097

    17. (6s,15s)-3,8,13,18-tetraazaicosane-6,15-diol

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 318.50 g/mol
    Molecular Formula C16H38N4O2
    XLogP3-0.6
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count17
    Exact Mass318.29947647 g/mol
    Monoisotopic Mass318.29947647 g/mol
    Topological Polar Surface Area88.6 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity198
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1