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    Technical details about Zolunicant Hydrochloride, learn more about the structure, uses, toxicity, action, side effects and more

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    Zolunicant Hydrochloride

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    2D Structure
    Also known as: Zolunicant hydrochloride, 18-methoxycoronaridine hydrochloride, Ln5k0f4gjf, 266686-77-5, Zolunicant hydrochloride [usan], 85z0p8329n
    Molecular Formula
    C22H29ClN2O3
    Molecular Weight
    404.9  g/mol
    InChI Key
    CVBFKKVQGICEBT-BWXWGAIDSA-N
    FDA UNII
    85Z0P8329N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl (1S,15R,17R,18S)-17-(2-methoxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate;hydrochloride
    2.1.2 InChI
    InChI=1S/C22H28N2O3.ClH/c1-26-10-8-15-11-14-12-22(21(25)27-2)19-17(7-9-24(13-14)20(15)22)16-5-3-4-6-18(16)23-19;/h3-6,14-15,20,23H,7-13H2,1-2H3;1H/t14-,15+,20+,22-;/m1./s1
    2.1.3 InChI Key
    CVBFKKVQGICEBT-BWXWGAIDSA-N
    2.1.4 Canonical SMILES
    COCCC1CC2CC3(C1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC.Cl
    2.1.5 Isomeric SMILES
    COCC[C@H]1C[C@@H]2C[C@@]3([C@H]1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    85Z0P8329N
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Zolunicant Hydrochloride

    2. 18-methoxycoronaridine Hydrochloride

    3. Ln5k0f4gjf

    4. 266686-77-5

    5. Zolunicant Hydrochloride [usan]

    6. 85z0p8329n

    7. 1388145-90-1

    8. Ibogamine-18-carboxylic Acid, 21-methoxy-, Methyl Ester, Hydrochloride (1:1)

    9. Ibogamine-18-carboxylic Acid, 21-methoxy-, Methyl Ester, Monohydrochloride

    10. 6,9-methano-5h-pyrido(1',2':1,2)azepino(4,5-b)indole-6(6ah)-carboxylic Acid, 7,8,9,10,12,13-hexahydro-7-(2-methoxyethyl)-, Methyl Ester, Hydrochloride (1:1), (6r,6ar,7s,9s,11r)-rel-

    11. Methyl (1s,15r,17r,18s)-17-(2-methoxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate;hydrochloride

    12. Unii-ln5k0f4gjf

    13. Unii-85z0p8329n

    14. Rac-18-methoxycoronaridine Hydrochloride

    15. 18-mc Hcl

    16. (+/-)-18-mc Hydrochloride

    17. Zolunicant Hydrochloride, (-)-

    18. (1rs,13rs,17sr)-1-(methoxycarbonyl)-17-(2-methoxyethyl)-3,13-diazapentacyclo(13.3.1.0^2,10^.0^4,9^.0^13,18^)nonadeca-2(10),4,6,8-tetraen-13-ium Chloride

    2.4 Create Date
    2014-08-25
    3 Chemical and Physical Properties
    Molecular Weight 404.9 g/mol
    Molecular Formula C22H29ClN2O3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count5
    Exact Mass404.1866705 g/mol
    Monoisotopic Mass404.1866705 g/mol
    Topological Polar Surface Area54.6 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity584
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2