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    Naloxegol Oxalate

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    2D Structure
    Also known as: 1354744-91-4, Nktr-118 oxalate, Naloxegol (oxalate), Naloxegol oxalate [usan], Az13337019 oxalate, Az-13337019 oxalate
    Molecular Formula
    C36H55NO15
    Molecular Weight
    741.8  g/mol
    InChI Key
    MNYIRXLCPODKLG-VUTNLTPYSA-N
    FDA UNII
    65I14TNM33
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4R,4aS,7S,7aR,12bS)-7-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol;oxalic acid
    2.1.2 InChI
    InChI=1S/C34H53NO11.C2H2O4/c1-3-9-35-10-8-33-30-26-4-5-27(36)31(30)46-32(33)28(6-7-34(33,37)29(35)25-26)45-24-23-44-22-21-43-20-19-42-18-17-41-16-15-40-14-13-39-12-11-38-2;3-1(4)2(5)6/h3-5,28-29,32,36-37H,1,6-25H2,2H3;(H,3,4)(H,5,6)/t28-,29+,32-,33-,34+;/m0./s1
    2.1.3 InChI Key
    MNYIRXLCPODKLG-VUTNLTPYSA-N
    2.1.4 Canonical SMILES
    COCCOCCOCCOCCOCCOCCOCCOC1CCC2(C3CC4=C5C2(C1OC5=C(C=C4)O)CCN3CC=C)O.C(=O)(C(=O)O)O
    2.1.5 Isomeric SMILES
    COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@]2([C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3CC=C)O.C(=O)(C(=O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    65I14TNM33
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1354744-91-4

    2. Nktr-118 Oxalate

    3. Naloxegol (oxalate)

    4. Naloxegol Oxalate [usan]

    5. Az13337019 Oxalate

    6. Az-13337019 Oxalate

    7. 65i14tnm33

    8. Moventig

    9. (4r,4as,7s,7ar,12bs)-7-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol;oxalic Acid

    10. Naloxegol Oxalate (usan)

    11. Unii-65i14tnm33

    12. Movantik (tn)

    13. Moventig (tn)

    14. Nktr-118-oxalate

    15. Naloxegol Oxalate [mi]

    16. Naloxegol Oxalate(nktr-118)

    17. Chembl2219416

    18. Schembl20839999

    19. Hy-a0118a

    20. Dtxsid50159395

    21. Naloxegol Oxalate [who-dd]

    22. Akos030526444

    23. Cs-5349

    24. Naloxegol Oxalate [orange Book]

    25. Nktr-118;az-13337019 Oxalate

    26. Ac-36031

    27. Movantik Component Naloxegol Oxalate

    28. Az 13337019

    29. Naloxegol Oxalate Component Of Movantik

    30. D10375

    31. Q27263878

    32. 4,5.alpha.-epoxy-6.alpha.-((3,6,7,12,15,18,21-heptaoxadocosyl)oxy)-17-(prop-2-enyl)morphinan-3,14-diol Hydrogen Ethanedioate

    33. 4,5alpha-epoxy-6alpha-((3,6,7,12,15,18,21-heptaoxadocosyl)oxy)-17-(prop-2-enyl)morphinan-3,14-diol Hydrogen Ethanedioate

    34. Morphinan-3,14-diol, 4,5-epoxy-6-(3,6,9,12,15,18,21-heptaoxadocos-1-yloxy)-17-(2-propen-1-yl)-, (5.alpha.,6.alpha.)-, Ethanedioate (1:1)

    35. Morphinan-3,14-diol, 4,5-epoxy-6-(3,6,9,12,15,18,21-heptaoxadocos-1-yloxy)-17-(2-propen-1-yl)-, (5alpha,6alpha)-, Ethanedioate (1:1)

    2.4 Create Date
    2012-05-14
    3 Chemical and Physical Properties
    Molecular Weight 741.8 g/mol
    Molecular Formula C36H55NO15
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count16
    Rotatable Bond Count25
    Exact Mass741.35717005 g/mol
    Monoisotopic Mass741.35717005 g/mol
    Topological Polar Surface Area201 Ų
    Heavy Atom Count52
    Formal Charge0
    Complexity971
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Drug and Medication Information
    4.1 Drug Indication

    Treatment of opioid-induced constipation (OIC) in adult patients who have had an inadequate response to laxative(s).

    5 Pharmacology and Biochemistry
    5.1 FDA Pharmacological Classification
    5.1.1 Pharmacological Classes
    Opioid Antagonists [MoA]; Opioid Antagonist [EPC]
    5.2 ATC Code

    A06AH03