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    Rgh 4417

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 79720-73-3, [(15s,19s)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]methyl 3,4,5-trimethoxybenzoate, Dtxsid201000691, (eburnamenin-14-yl)methyl 3,4,5-trimethoxybenzoate, Eburnamenine-14-methanol, 3,4,5-trimethoxybenzoate (ester), (3alpha,16alpha)-
    Molecular Formula
    C30H34N2O5
    Molecular Weight
    502.6  g/mol
    InChI Key
    VYHPNRMBGSEPHR-DGPALRBDSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]methyl 3,4,5-trimethoxybenzoate
    2.1.2 InChI
    InChI=1S/C30H34N2O5/c1-5-30-12-8-13-31-14-11-22-21-9-6-7-10-23(21)32(26(22)28(30)31)20(17-30)18-37-29(33)19-15-24(34-2)27(36-4)25(16-19)35-3/h6-7,9-10,15-17,28H,5,8,11-14,18H2,1-4H3/t28-,30+/m1/s1
    2.1.3 InChI Key
    VYHPNRMBGSEPHR-DGPALRBDSA-N
    2.1.4 Canonical SMILES
    CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(=C2)COC(=O)C6=CC(=C(C(=C6)OC)OC)OC
    2.1.5 Isomeric SMILES
    CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4C(=C2)COC(=O)C6=CC(=C(C(=C6)OC)OC)OC
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Rgh 4417

    2. Rgh-4417

    2.2.2 Depositor-Supplied Synonyms

    1. 79720-73-3

    2. [(15s,19s)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]methyl 3,4,5-trimethoxybenzoate

    3. Dtxsid201000691

    4. (eburnamenin-14-yl)methyl 3,4,5-trimethoxybenzoate

    5. Eburnamenine-14-methanol, 3,4,5-trimethoxybenzoate (ester), (3alpha,16alpha)-

    2.3 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 502.6 g/mol
    Molecular Formula C30H34N2O5
    XLogP35
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count8
    Exact Mass502.24677219 g/mol
    Monoisotopic Mass502.24677219 g/mol
    Topological Polar Surface Area62.2 Ų
    Heavy Atom Count37
    Formal Charge0
    Complexity866
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1