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    Elagolix Sodium

    ACTIVE PHARMA INGREDIENTS

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    2D Structure
    Also known as: Elagolix sodium salt, 832720-36-2, Orlissa, Elagolix sodium [usan], Nbi-56418 na, Nbi-56418-na
    Molecular Formula
    C32H29F5N3NaO5
    Molecular Weight
    653.6  g/mol
    InChI Key
    DQYGXRQUFSRDCH-UQIIZPHYSA-M
    FDA UNII
    5948VUI423
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]butanoate
    2.1.2 InChI
    InChI=1S/C32H30F5N3O5.Na/c1-19-28(21-11-6-14-26(45-2)29(21)34)30(43)40(18-25(20-9-4-3-5-10-20)38-16-8-15-27(41)42)31(44)39(19)17-22-23(32(35,36)37)12-7-13-24(22)33;/h3-7,9-14,25,38H,8,15-18H2,1-2H3,(H,41,42);/q;+1/p-1/t25-;/m0./s1
    2.1.3 InChI Key
    DQYGXRQUFSRDCH-UQIIZPHYSA-M
    2.1.4 Canonical SMILES
    CC1=C(C(=O)N(C(=O)N1CC2=C(C=CC=C2F)C(F)(F)F)CC(C3=CC=CC=C3)NCCCC(=O)[O-])C4=C(C(=CC=C4)OC)F.[Na+]
    2.1.5 Isomeric SMILES
    CC1=C(C(=O)N(C(=O)N1CC2=C(C=CC=C2F)C(F)(F)F)C[C@@H](C3=CC=CC=C3)NCCCC(=O)[O-])C4=C(C(=CC=C4)OC)F.[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    5948VUI423
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Elagolix

    2. Orilissa

    3. R-(+)-4-(2-(5-(2-fluoro-3-methoxyphenyl)-3-(2-fluoro-6-(trifluoromethyl)benzyl)-4-methyl-2,6-dioxo-3,6-dihydro-2h-pyrimidin-1-yl)-1-phenylethylamino)butyrate

    2.3.2 Depositor-Supplied Synonyms

    1. Elagolix Sodium Salt

    2. 832720-36-2

    3. Orlissa

    4. Elagolix Sodium [usan]

    5. Nbi-56418 Na

    6. Nbi-56418-na

    7. 832720-36-2 (sodium)

    8. 5948vui423

    9. Elagolix Sodium (usan)

    10. Sodium (r)-4-((2-(5-(2-fluoro-3-methoxyphenyl)-3-(2-fluoro-6-(trifluoromethyl)benzyl)-4-methyl-2,6-dioxo-2,3-dihydropyrimidin-1(6h)-yl)-1-phenylethyl)amino)butanoate

    11. Chembl502182

    12. Sodium;4-[[(1r)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]butanoate

    13. Unii-5948vui423

    14. Nbi56418 Na

    15. Orilissa (tn)

    16. C32h29f5n3o5.na

    17. Schembl1641994

    18. Elagolix Sodium [who-dd]

    19. Elagolix Sodium Salt [mi]

    20. Dtxsid601003247

    21. Ex-a2388

    22. Mfcd12546649

    23. Elagolix Sodium [orange Book]

    24. Akos030524154

    25. Nbi56418; Abt-620

    26. Ccg-270333

    27. Oriahnn Component Elagolix Sodium

    28. Ac-29671

    29. As-56299

    30. Be163657

    31. Hy-14369

    32. Elagolix Sodium Component Of Oriahnn

    33. Cs-0003317

    34. D09336

    35. Q27261650

    36. 4-((r)-2-[5-(2-fluoro-3-methoxy-phenyl)-3-(2-fluoro-6-trifluoromethyl-benzyl)-4-methyl-2,6-dioxo-3,6-dihydro-2h-pyrimidin-1-yl]-1-phenyl-ethylamino)-butyric Acid Sodium Salt

    37. Butanoic Acid, 4-(((1r)-2-(5-(2-fluoro-3-methoxyphenyl)-3-((2-fluoro-6-(trifluoromethyl)phenyl)methyl)-3,6-dihydro-4-methyl-2,6-dioxo-1(2h)-pyrimidinyl)-1- Phenylethyl)amino)-, Monosodium Salt

    38. Butanoic Acid, 4-(((1r)-2-(5-(2-fluoro-3-methoxyphenyl)-3-((2-fluoro-6-(trifluoromethyl)phenyl)methyl)-3,6-dihydro-4-methyl-2,6-dioxo-1(2h)-pyrimidinyl)-1-phenylethyl)amino)-, Monosodium Salt

    39. Sodium 4-(((1r)-2-(5-(2-fluoro-3-methoxyphenyl)-3-((2-fluoro-6- (trifluoromethyl)phenyl)methyl)-4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2h)-yl)-1- Phenylethyl)amino)butanoate

    40. Sodium 4-(((1r)-2-(5-(2-fluoro-3-methoxyphenyl)-3-((2-fluoro-6-(trifluoromethyl)phenyl)methyl)-4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2h)-yl)-1-phenylethyl)amino)butanoate

    2.4 Create Date
    2008-05-19
    3 Chemical and Physical Properties
    Molecular Weight 653.6 g/mol
    Molecular Formula C32H29F5N3NaO5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count12
    Exact Mass653.19250613 g/mol
    Monoisotopic Mass653.19250613 g/mol
    Topological Polar Surface Area102 Ų
    Heavy Atom Count46
    Formal Charge0
    Complexity1090
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Drug and Medication Information
    4.1 Drug Information
    1 of 1  
    Drug NameORILISSA
    Active IngredientELAGOLIX SODIUM
    CompanyABBVIE INC (Application Number: N210450. Patents: 6872728, 7056927, 7176211, 7179815, 7419983, 7462625)