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Chemistry

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Also known as: 141206-42-0, (2r,3s,4r,5s)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol, N-(n-butyl)deoxygalactonojirimycin, Lucerastat [inn], Lucerastat [usan], Act-434964
Molecular Formula
C10H21NO4
Molecular Weight
219.28  g/mol
InChI Key
UQRORFVVSGFNRO-XFWSIPNHSA-N
FDA UNII
GVS3YDM418

Lucerastat
Lucerastat is under investigation in clinical trial NCT03425539 (Efficacy and Safety of Lucerastat Oral Monotherapy in Adult Subjects With Fabry Disease).
1 2D Structure

Lucerastat

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R,3S,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol
2.1.2 InChI
InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9+,10-/m1/s1
2.1.3 InChI Key
UQRORFVVSGFNRO-XFWSIPNHSA-N
2.1.4 Canonical SMILES
CCCCN1CC(C(C(C1CO)O)O)O
2.1.5 Isomeric SMILES
CCCCN1C[C@@H]([C@H]([C@H]([C@H]1CO)O)O)O
2.2 Other Identifiers
2.2.1 UNII
GVS3YDM418
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 1-butyl-2-(hydroxylmethyl)piperidine-3,4,5-triol

2. 1-deoxy-galactonojirimycin

3. 1-deoxygalacto-nojirimycin

4. 1-deoxygalactonojirimycin

5. At1001 Deoxyjirimycin

6. Galafold

7. Gr181413a

8. Migalastat

9. Migalastat Hcl

10. Migalastat Hydrochloride

11. N-butyldeoxygalacto-nojirimycin

12. N-butyldeoxygalactonojirimycin

13. Nb-dgj

2.3.2 Depositor-Supplied Synonyms

1. 141206-42-0

2. (2r,3s,4r,5s)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol

3. N-(n-butyl)deoxygalactonojirimycin

4. Lucerastat [inn]

5. Lucerastat [usan]

6. Act-434964

7. Gvs3ydm418

8. Chembl1086997

9. N-butyldeoxygalactonojirimycin

10. N-butyl-dgj

11. Unii-gvs3ydm418

12. Nbdgj

13. N-bu-dgj

14. Nb-dgj

15. Lucerastat [jan]

16. Lucerastat [usan:inn]

17. Lucerastat (jan/usan/inn)

18. N- Butyldeoxygalactonojirimycin

19. Schembl6821044

20. N-butyl-deoxy-galactonojirimycin

21. Cdp-923

22. Dtxsid60161601

23. N-n-butyl Deoxygalactonojirimycin

24. Ogt-923

25. Who 9539

26. Bdbm50312528

27. Mfcd00269939

28. Zinc13719785

29. N-butyl-d-galacto-1-deoxynojirimycin

30. Db14872

31. Ncgc00181326-01

32. Hy-106392

33. Cs-0025710

34. D11439

35. 1-butyl-2-hydroxymethyl-piperidine-3,4,5-triol

36. W-201205

37. Q27279309

38. (2r,3s,4r,5s)-1-butyl-2-(hydroxymethyl)-3,4,5-piperidinetriol

39. (2r,3s,4r,5s)-1-(but-1-yl)-2-(hydroxymethyl)piperidine-3,4,5-triol

40. 3,4,5-piperidinetriol, 1-butyl-2-(hydroxymethyl)-, (2r,3s,4r,5s)-

2.4 Create Date
2005-08-01
3 Chemical and Physical Properties
Molecular Weight 219.28 g/mol
Molecular Formula C10H21NO4
XLogP3-0.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass219.14705815 g/mol
Monoisotopic Mass219.14705815 g/mol
Topological Polar Surface Area84.2 Ų
Heavy Atom Count15
Formal Charge0
Complexity190
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Drug and Medication Information
4.1 Drug Indication

Treatment of Fabry disease


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