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

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2D Structure
1. 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


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