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ACTIVE PHARMA INGREDIENTS

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Synopsis

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Chemistry

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Also known as: 6157-87-5, Orgasteron acetate, Trestolone acetate [usan], U-15,614, 52xdf4n1xl, U-15614

Molecular Formula

C₂₁H₃₀O₃

Molecular Weight

330.5 g/mol

InChI Key

IVCRCPJOLWECJU-XQVQQVTHSA-N

FDA UNII

52XDF4N1XL

Trestolone acetate is a synthetic and injected anabolicandrogenic steroid (AAS) and a derivative of nandrolone (19-nortestosterone) which was never marketed. It is an androgen ester specifically, the C17 acetate ester of [DB05830].

1 2D Structure

Trestolone Acetate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(7R,8R,9S,10R,13S,14S,17S)-7,13-dimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate

2.1.2 InChI

InChI=1S/C21H30O3/c1-12-10-14-11-15(23)4-5-16(14)17-8-9-21(3)18(20(12)17)6-7-19(21)24-13(2)22/h11-12,16-20H,4-10H2,1-3H3/t12-,16+,17-,18+,19+,20-,21+/m1/s1

2.1.3 InChI Key

IVCRCPJOLWECJU-XQVQQVTHSA-N

2.1.4 Canonical SMILES

CC1CC2=CC(=O)CCC2C3C1C4CCC(C4(CC3)C)OC(=O)C

2.1.5 Isomeric SMILES

C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@@H]3[C@@H]1[C@@H]4CC[C@@H]([C@]4(CC3)C)OC(=O)C

2.2 Other Identifiers

2.2.1 UNII

52XDF4N1XL

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 17 Beta-hydroxy-7 Alpha-methylestr-4-en-3-one Acetate

2. 7 Alpha-methyl-19-nortestosterone Acetate

3. U 15614

4. U-15,614

2.3.2 Depositor-Supplied Synonyms

1. 6157-87-5

2. Orgasteron Acetate

3. Trestolone Acetate [usan]

4. U-15,614

5. 52xdf4n1xl

6. U-15614

7. 17beta-hydroxy-7alpha-methylestr-4-en-3-one Acetate

8. Nsc-69948

9. Trestolone Acetate (usan)

10. Cdb 903

11. Nsc 69948

12. Unii-52xdf4n1xl

13. 17.beta.-hydroxy-7.alpha.-methylestr-4-en-3-one Acetate

14. 7.alpha.-methyl-19-nortestosterone Acetate

15. Ment Acetate

16. 19-nortestosterone, 7alpha-methyl-, Acetate

17. Chembl452329

18. Schembl2787569

19. Estr-4-en-3-one, 17-(acetyloxy)-7-methyl-, (7.alpha.,17.beta.)-

20. Cdb-903

21. Dtxsid80977160

22. Db13958

23. 7alpha-methyl-19-nortestosterone Acetate

24. D06214

25. 7alpha-methyl-19-nortestosterone 17beta-acetate

26. Q27261025

27. Estr-4-en-3-one, 17beta-hydroxy-7alpha-methyl-, Acetate

28. Estr-4-en-3-one, 17-(acetyloxy)-7-methyl-, (7alpha,17beta)-

29. [(7r,8r,9s,10r,13s,14s,17s)-7,13-dimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl] Acetate

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₃₀O₃
Molecular Weight	330.5 g/mol
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	330.21949481 g/mol
Monoisotopic Mass	330.21949481 g/mol
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	592
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1