Testosterone Decanoate

Synopsis, Chemistry

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Also known as: 5721-91-5, Ijw60lao6s, [(8r,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] decanoate, 17beta-hydroxyandrost-4-en-3-one decanoate, Chebi:35000, Nsc-26642

Molecular Formula

C₂₉H₄₆O₃

Molecular Weight

442.7 g/mol

InChI Key

LBERVHLCXUMDOT-MPZZESAYSA-N

FDA UNII

IJW60LAO6S

1 2D Structure

Testosterone Decanoate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C29H46O3/c1-4-5-6-7-8-9-10-11-27(31)32-26-15-14-24-23-13-12-21-20-22(30)16-18-28(21,2)25(23)17-19-29(24,26)3/h20,23-26H,4-19H2,1-3H3/t23-,24-,25-,26-,28-,29-/m0/s1

2.1.3 InChI Key

LBERVHLCXUMDOT-MPZZESAYSA-N

2.1.4 Canonical SMILES

CCCCCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C

2.1.5 Isomeric SMILES

CCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C

2.2 Other Identifiers

2.2.1 UNII

IJW60LAO6S

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 5721-91-5

2. Ijw60lao6s

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

4. 17beta-hydroxyandrost-4-en-3-one Decanoate

5. Chebi:35000

6. Nsc-26642

7. Ncgc00160513-01

8. Androst-4-en-3-one, 17-[(1-oxodecyl)oxy]-, (17b)-

9. Unii-ijw60lao6s

10. Test Decanoate

11. Testosterondecanoat

12. Testocaps (tn)

13. Testosterone Caprate

14. Einecs 227-226-4

15. Nsc 26642

16. Testosterone Caprinate

17. Testosteroen Decanoate

18. Dsstox_cid_26198

19. Dsstox_rid_81429

20. Dsstox_gsid_46198

21. Testosterone 17beta-decanoate

22. Schembl219795

23. Gtpl7630

24. Chembl1473654

25. Dtxsid5046198

26. Androst-4-en-3-one, 17-[(1-oxodecyl)oxy]-, (17.beta.)-

27. Bcp17658

28. Nsc26642

29. Tox21_111863

30. Zinc19685816

31. Akos015895429

32. Testosterone Decanoate [mart.]

33. Ds-3319

34. Testosterone Decanoate [who-dd]

35. Cas-5721-91-5

36. Testosterone Decanoate [ep Monograph]

37. (17beta)-3-oxoandrost-4-en-17-yl Decanoate

38. D08573

39. 3-oxoandrost-4-en-17.beta.-yl Decanoate

40. 721t915

41. W-105480

42. 17.beta.-hydroxyandrost-4-en-3-one Decanoate

43. Q27088963

44. Testosterone Decanoate, European Pharmacopoeia (ep) Reference Standard

45. Testosterone Decanoate For System Suitability, European Pharmacopoeia (ep) Reference Standard

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₂₉H₄₆O₃
Molecular Weight	442.7 g/mol
XLogP3	8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	10
Exact Mass	442.34469533 g/mol
Monoisotopic Mass	442.34469533 g/mol
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	724
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1