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Chemistry

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Also known as: Osaterone acetate ester, 105149-00-6, Tzp-4238, Fr26fsv5ez, 2-oxapregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-chloro-, Osaterone acetate (jan)
Molecular Formula
C22H27ClO5
Molecular Weight
406.9  g/mol
InChI Key
KKTIOMQDFOYCEN-OFUYBIASSA-N
FDA UNII
FR26FSV5EZ

Osaterone acetate
1 2D Structure

Osaterone acetate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[(1R,3aS,3bR,9aR,9bS,11aS)-1-acetyl-5-chloro-9a,11a-dimethyl-7-oxo-2,3,3a,3b,9,9b,10,11-octahydroindeno[4,5-h]isochromen-1-yl] acetate
2.1.2 InChI
InChI=1S/C22H27ClO5/c1-12(24)22(28-13(2)25)8-6-16-14-9-18(23)17-10-19(26)27-11-20(17,3)15(14)5-7-21(16,22)4/h9-10,14-16H,5-8,11H2,1-4H3/t14-,15+,16+,20-,21+,22+/m1/s1
2.1.3 InChI Key
KKTIOMQDFOYCEN-OFUYBIASSA-N
2.1.4 Canonical SMILES
CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)OCC34C)Cl)C)OC(=O)C
2.1.5 Isomeric SMILES
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)OC[C@]34C)Cl)C)OC(=O)C
2.2 Other Identifiers
2.2.1 UNII
FR26FSV5EZ
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 17-acetoxy-6-chloro-2-oxa-4,6 Pregnadiene-3,20-dione

2. 2-oxachloromadinone Acetate

3. Tzp 4238

4. Tzp-4238

2.3.2 Depositor-Supplied Synonyms

1. Osaterone Acetate Ester

2. 105149-00-6

3. Tzp-4238

4. Fr26fsv5ez

5. 2-oxapregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-chloro-

6. Osaterone Acetate (jan)

7. Osaterone Acetate [jan]

8. Ypozane

9. Tzp 4238

10. Ccris 6738

11. Unii-fr26fsv5ez

12. Hipros

13. 17-(acetyloxy)-6-chloro-2-oxapregna-4,6-diene-3,20-dione

14. 17-alpha-acetoxy-6-chloro-2-oxa-4,6-pregnadiene-3,20-dione

15. [(1r,3as,3br,9ar,9bs,11as)-1-acetyl-5-chloro-9a,11a-dimethyl-7-oxo-2,3,3a,3b,9,9b,10,11-octahydroindeno[4,5-h]isochromen-1-yl] Acetate

16. 7-acetyl-7-(acetyloxy)-11-chloro-4ar,4b,5,6,6as,7r,8,9,9as,9br-decahydro-4a,6a-dimethylcyclopenta(5,6)naphtho(1,2-c)pyran-2(4h)-one

17. Schembl528987

18. Chebi:81713

19. 2-oxochlormadinone Acetate

20. Dtxsid501030455

21. Osaterone Acetate Ester [mi]

22. Cyclopenta(5,6)naphtho(1,2-c)pyran-2(4h)-one, 7-acetyl-7-(acetyloxy)-11-chloro-4a,4b,5,6,6a,7,8,9,9a,9b-decahydro-4a,6a-dimethyl-, (4ar,4bs,6as,7r,9as,9br)-

23. C18375

24. D11105

25. Osaterone Acetate [ema Epar Veterinary]

26. Q27155575

27. 17alpha-acetoxy-6-chloro-2-oxapregna-4,6-diene-3,20-dione

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 406.9 g/mol
Molecular Formula C22H27ClO5
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass406.1547017 g/mol
Monoisotopic Mass406.1547017 g/mol
Topological Polar Surface Area69.7 Ų
Heavy Atom Count28
Formal Charge0
Complexity829
Isotope Atom Count0
Defined Atom Stereocenter Count6
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 benign prostatic hypertrophy (BPH) in male dogs.


5 Pharmacology and Biochemistry
5.1 MeSH Pharmacological Classification

Androgen Antagonists

Compounds which inhibit or antagonize the biosynthesis or actions of androgens. (See all compounds classified as Androgen Antagonists.)


5.2 ATC Code

QG04CX90


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