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    Elinzanetant

    ACTIVE PHARMA INGREDIENTS

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    DIGITAL CONTENT

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    2D Structure
    Also known as: Unii-nzw2bow35n, 929046-33-3, Nt-814, Elinzanetant [inn], Elinzanetant [usan], Nzw2bow35n
    Molecular Formula
    C33H35F7N4O3
    Molecular Weight
    668.6  g/mol
    InChI Key
    DWRIJNIPBUFCQS-DQEYMECFSA-N
    FDA UNII
    NZW2BOW35N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[6-[(7S,9aS)-7-(hydroxymethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-4-(4-fluoro-2-methylphenyl)pyridin-3-yl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide
    2.1.2 InChI
    InChI=1S/C33H35F7N4O3/c1-19-9-23(34)5-6-26(19)27-13-29(44-16-25-18-47-8-7-43(25)15-24(44)17-45)41-14-28(27)42(4)30(46)31(2,3)20-10-21(32(35,36)37)12-22(11-20)33(38,39)40/h5-6,9-14,24-25,45H,7-8,15-18H2,1-4H3/t24-,25-/m0/s1
    2.1.3 InChI Key
    DWRIJNIPBUFCQS-DQEYMECFSA-N
    2.1.4 Canonical SMILES
    CC1=C(C=CC(=C1)F)C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CC5COCCN5CC4CO
    2.1.5 Isomeric SMILES
    CC1=C(C=CC(=C1)F)C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4C[C@H]5COCCN5C[C@H]4CO
    2.2 Other Identifiers
    2.2.1 UNII
    NZW2BOW35N
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Unii-nzw2bow35n

    2. 929046-33-3

    3. Nt-814

    4. Elinzanetant [inn]

    5. Elinzanetant [usan]

    6. Nzw2bow35n

    7. Bay3427080

    8. Bay-3427080

    9. 2-(3,5-bis(trifluoromethyl)phenyl)-n-(4-(4-fluoro-2-methylphenyl)-6-((7s,9as)-7-(hydroxymethyl)hexahydropyrazino(2,1-c)(1,4)oxazin-8(1h)-yl)-3-pyridinyl)-n,2-dimethylpropanamide

    10. 2-[3,5-bis(trifluoromethyl)phenyl]-n-{4-(4-fluoro-2-methylphenyl)-6-[(7s,9as)-7-(hydroxymethyl)hexahydropyrazino[2,1-c][1,4]oxazin-8(1h)-yl]-3-pyridinyl}-n,2-dimethylpropanamide

    11. Elinzanetant [who-dd]

    12. Schembl303180

    13. Chembl4802157

    14. Dtxsid101337049

    15. Ex-a6225

    16. Who 10952

    17. Hy-109171

    18. Cs-0116361

    19. 2-[3,5-bis(trifluoromethyl)phenyl]-n-{4-(4-fluoro-2-methylphenyl)-6-[(7s,9as)-7-(hydroxymethyl)hexahydropyrazino[2,1-c][1,4]oxazin-8(1h)-yl]pyridin-3-yl}-n,2-dimethylpropanamide

    20. Benzamide, 3-(5-methyl-2-tbenzeneacetamide, N-(4-(4-fluoro-2-methylphenyl)-6-((7s,9as)-hexahydro-7-(hydroxymethyl)pyrazino(2,1-c)(1,4)oxazin-8(1h)-yl)-3-pyridinyl)-n,.alpha.,.alpha.-trimethyl-3,5-bis(trifluoromethyl)-

    21. Benzamide, 3-(5-methyl-2-tbenzeneacetamide, N-(4-(4-fluoro-2-methylphenyl)-6-((7s,9as)-hexahydro-7-(hydroxymethyl)pyrazino(2,1-c)(1,4)oxazin-8(1h)-yl)-3-pyridinyl)-n,alpha,alpha-trimethyl-3,5-bis(trifluoromethyl)-

    22. N-[6-[(7s,9as)-7-(hydroxymethyl)-3,4,6,7,9,9a-hexahydro-1h-pyrazino[2,1-c][1,4]oxazin-8-yl]-4-(4-fluoro-2-methylphenyl)pyridin-3-yl]-2-[3,5-bis(trifluoromethyl)phenyl]-n,2-dimethylpropanamide

    2.4 Create Date
    2007-05-22
    3 Chemical and Physical Properties
    Molecular Weight 668.6 g/mol
    Molecular Formula C33H35F7N4O3
    XLogP35.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count13
    Rotatable Bond Count6
    Exact Mass668.25973813 g/mol
    Monoisotopic Mass668.25973813 g/mol
    Topological Polar Surface Area69.1 Ų
    Heavy Atom Count47
    Formal Charge0
    Complexity1060
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1