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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 401900-40-1, Gtx-007, (2s)-3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]propanamide, Gtx007, S-3-(4-acetylamino-phenoxy)-2-hydroxy-2-methyl-n-(4-nitro-3-trifluoromethyl-phenyl)-propionamide, 7ut2hah49h

Molecular Formula

C₁₉H₁₈F₃N₃O₆

Molecular Weight

441.4 g/mol

InChI Key

YVXVTLGIDOACBJ-SFHVURJKSA-N

FDA UNII

7UT2HAH49H

Andarine is a non-steroidal selective androgen receptor modulator.

1 2D Structure

Andarine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide

2.1.2 InChI

InChI=1S/C19H18F3N3O6/c1-11(26)23-12-3-6-14(7-4-12)31-10-18(2,28)17(27)24-13-5-8-16(25(29)30)15(9-13)19(20,21)22/h3-9,28H,10H2,1-2H3,(H,23,26)(H,24,27)/t18-/m0/s1

2.1.3 InChI Key

YVXVTLGIDOACBJ-SFHVURJKSA-N

2.1.4 Canonical SMILES

CC(=O)NC1=CC=C(C=C1)OCC(C)(C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)O

2.1.5 Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC[C@@](C)(C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)O

2.2 Other Identifiers

2.2.1 UNII

7UT2HAH49H

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 3-(4-acetylamino-phenoxy)-2-hydroxy-2-methyl-n-(4-nitro-3-trifluoromethylphenyl)propionamide

2. 3-(4-acetylaminophenoxy)-2-hydroxy-2-methyl-n-(4-nitro-3-trifluoromethylphenyl)-propionamide

3. S-4 Cpd

2.3.2 Depositor-Supplied Synonyms

1. 401900-40-1

2. Gtx-007

3. (2s)-3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]propanamide

4. Gtx007

5. S-3-(4-acetylamino-phenoxy)-2-hydroxy-2-methyl-n-(4-nitro-3-trifluoromethyl-phenyl)-propionamide

6. 7ut2hah49h

7. Chembl125236

8. Propanamide, 3-(4-(acetylamino)phenoxy)-2-hydroxy-2-methyl-n-(4-nitro-3-(trifluoromethyl)phenyl)-, (2s)-

9. Andarine (gtx-007)

10. (2s)-3-(4-acetamido-phenoxy)-2-hydroxy-2-methyl-n-(4-nitro-3-trifluoromethyl-phenyl)-propionamide

11. (s)-3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-n-(4-nitro-3-(trifluoromethyl)phenyl)propanamide

12. S-4

13. S-4 Cpd

14. Andarine;s4

15. Unii-7ut2hah49h

16. (s)-andarine

17. H_166_andarine_s4

18. Andarine - Gtx-007

19. Sarm S-4

20. Mls006010738

21. Gtx 007

22. Nonsteroidal Ar Ligand, S-6

23. Gtpl7849

24. Schembl2689756

25. Bdbm18665

26. Chebi:94760

27. Dtxsid40193187

28. Ex-a724

29. 3b68

30. Bcpp000400

31. Hms3654m08

32. Amy38109

33. Bcp01832

34. Zinc3991693

35. Mfcd09027386

36. S1140

37. Akos005145785

38. Akos015841082

39. Bmc185567 S-4

40. Bcp9000302

41. Ccg-264833

42. Cs-0160

43. Db07423

44. Ncgc00263150-01

45. Ncgc00263150-02

46. Ncgc00263150-04

47. Ac-26920

48. As-19581

49. Hy-12023

50. N-[4-nitro-3-(trifluoromethyl)phenyl]-(2s)-3-[4-(acetylamino)phenoxy]-2-hydroxy-2-methylpropanamide

51. Smr004701697

52. Sw219160-1

53. 900n401

54. J-523346

55. Q4753617

56. Brd-k82164249-001-02-7

57. (2s)-3-[4-(acetylamino)phenoxy]-2-hydroxy-2-methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]propanamide

58. (s)-3-(4-acetylaminophenoxy)-2-hydroxy-2-methyl-n-(4-nitro-3-trifluoromethylphenyl)propionamide

59. (s)-3-(4-acetylaminophenoxy)-2-hydroxy-2-methyl-n-(4-nitro-3-trifluoromethylphenyl)propionamide, Analytical Standard

60. 3-(4-acetylamino-phenoxy)-2-hydroxy-2-methyl-n-(4-nitro-3-trifluoromethylphenyl)propionamide

61. 3-(4-acetylaminophenoxy)-2-hydroxy-2-methyl-n-(4-nitro-3-trifluoromethylphenyl)-propionamide

62. B68

63. N-[4-ntro-3-(trfluoromethyl)phenyl]-(2s)-3-[4-(acetylamno)phenoxy]-2-hydroxy-2-methylpropanamde

64. Propanamide, 3-?[4-?(acetylamino)?phenoxy]?-?2-?hydroxy-?2-?methyl-?n-?[4-?nitro-?3-?(trifluoromethyl)?phenyl]?-?, (2s)?-

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₁₈F₃N₃O₆
Molecular Weight	441.4 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Exact Mass	441.11476979 g/mol
Monoisotopic Mass	441.11476979 g/mol
Topological Polar Surface Area	134 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	663
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1