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    Chemistry

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    Also known as: Ddvnkk01xa, 2245827-85-2, Refchem:1099420, Unii-ddvnkk01xa, (1s,4s)-4-ethoxy-n-(2-((r)-9-(pyridin-2-yl)-6-oxaspiro(4.5)decan-9-yl)ethyl)-1,2,3,4-tetrahydronaphthalen-1-amine fumarate, 6-oxaspiro(4.5)decane-9-ethanamine, n-((1s,4s)-4-ethoxy-1,2,3,4-tetrahydro-1-naphthalenyl)-9-(2-pyridinyl)-, (9r)-, (2e)-2-butenedioate (1:1)
    Molecular Formula
    C32H42N2O6
    Molecular Weight
    550.7  g/mol
    InChI Key
    VFGOEMJUCDUQKE-UCTPHWQQSA-N
    FDA UNII
    DDVNKK01XA
    Tegileridine fumarate
    1 2D Structure

    Tegileridine fumarate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (E)-but-2-enedioic acid;(1S,4S)-4-ethoxy-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
    2.1.2 InChI
    InChI=1S/C28H38N2O2.C4H4O4/c1-2-31-25-13-12-24(22-9-3-4-10-23(22)25)29-19-16-27(26-11-5-8-18-30-26)17-20-32-28(21-27)14-6-7-15-28;5-3(6)1-2-4(7)8/h3-5,8-11,18,24-25,29H,2,6-7,12-17,19-21H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t24-,25-,27+;/m0./s1
    2.1.3 InChI Key
    VFGOEMJUCDUQKE-UCTPHWQQSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    DDVNKK01XA
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Ddvnkk01xa

    2. 2245827-85-2

    3. Refchem:1099420

    4. Unii-ddvnkk01xa

    5. (1s,4s)-4-ethoxy-n-(2-((r)-9-(pyridin-2-yl)-6-oxaspiro(4.5)decan-9-yl)ethyl)-1,2,3,4-tetrahydronaphthalen-1-amine Fumarate

    6. 6-oxaspiro(4.5)decane-9-ethanamine, N-((1s,4s)-4-ethoxy-1,2,3,4-tetrahydro-1-naphthalenyl)-9-(2-pyridinyl)-, (9r)-, (2e)-2-butenedioate (1:1)

    7. Schembl20534251

    8. Schembl29552134

    9. Tegileridine Fumarate [who-dd]

    2.4 Create Date
    2018-12-15
    3 Chemical and Physical Properties
    Molecular Weight 550.7 g/mol
    Molecular Formula C32H42N2O6
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count9
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area118
    Heavy Atom Count40
    Formal Charge0
    Complexity711
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

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