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Chemistry

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Also known as: 1165910-22-4, Lgd-4033, Ligandrol, Lgd4033, Vk-5211, 4-[(2r)-2-[(1r)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile
Molecular Formula
C14H12F6N2O
Molecular Weight
338.25  g/mol
InChI Key
OPSIVAKKLQRWKC-VXGBXAGGSA-N
FDA UNII
1EJT54415A

Ligandrol
Ligandrol is an investigational selective androgen receptor modulator (SARM) for treatment of conditions such as muscle wasting and osteoporosis.
1 2D Structure

Ligandrol

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-[(2R)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile
2.1.2 InChI
InChI=1S/C14H12F6N2O/c15-13(16,17)10-6-9(4-3-8(10)7-21)22-5-1-2-11(22)12(23)14(18,19)20/h3-4,6,11-12,23H,1-2,5H2/t11-,12-/m1/s1
2.1.3 InChI Key
OPSIVAKKLQRWKC-VXGBXAGGSA-N
2.1.4 Canonical SMILES
C1CC(N(C1)C2=CC(=C(C=C2)C#N)C(F)(F)F)C(C(F)(F)F)O
2.1.5 Isomeric SMILES
C1C[C@@H](N(C1)C2=CC(=C(C=C2)C#N)C(F)(F)F)[C@H](C(F)(F)F)O
2.2 Other Identifiers
2.2.1 UNII
1EJT54415A
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 4-(2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl)-2-(trifluoromethyl)benzonitrile

2. Lgd-4033

2.3.2 Depositor-Supplied Synonyms

1. 1165910-22-4

2. Lgd-4033

3. Ligandrol

4. Lgd4033

5. Vk-5211

6. 4-[(2r)-2-[(1r)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile

7. 1ejt54415a

8. 4-[(2r)-2-[(1r)-2,2,2-trifluoro-1-hydroxyethyl]-1-pyrrolidinyl]-2-(trifluoromethyl)benzonitrile

9. Unii-1ejt54415a

10. 4-((2r)-2-((1r)-2,2,2-trifluoro-1-hydroxyethyl)-1-pyrrolidinyl)-2-(trifluoromethyl)benzonitrile

11. 4-{(2r)-2-[(1r)-2,2,2-trifluoro-1-hydroxyethyl]-1-pyrrolidinyl}-2-(trifluoromethyl)benzonitrile

12. Benzonitrile, 4-((2r)-2-((1r)-2,2,2-trifluoro-1-hydroxyethyl)-1-pyrrolidinyl)-2-(trifluoromethyl)-

13. Benzonitrile, 4-[(2r)-2-[(1r)-2,2,2-trifluoro-1-hydroxyethyl]-1-pyrrolidinyl]-2-(trifluoromethyl)-

14. Ligandrol;lgd-4033

15. Schembl221159

16. Ligandrol [nflis-drug]

17. Lgd4033(lg)

18. Vk5211

19. Dtxsid10657620

20. Ex-a729

21. Bcp07128

22. Lgd-4033lgd-4033

23. Mfcd27923016

24. S8822

25. Zinc95830588

26. Akos022173564

27. Cs-4667

28. Db13934

29. Lgd-4033(vk-5211)

30. Ac-30218

31. Hy-13981

32. A14346

33. J-690039

34. Q21098841

2.4 Create Date
2009-08-10
3 Chemical and Physical Properties
Molecular Weight 338.25 g/mol
Molecular Formula C14H12F6N2O
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass338.08538198 g/mol
Monoisotopic Mass338.08538198 g/mol
Topological Polar Surface Area47.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity468
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

API SUPPLIERS

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API Reference Price

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25-May-2021
25-Oct-2024
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