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ACTIVE PHARMA INGREDIENTS

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Synopsis

ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 2363-59-9, Boldenone 17-acetate, 17beta-acetoxyandrosta-1,4-dien-3-one, 3t5iz3hs3x, [(8r,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate, Androsta-1,4-dien-3-one, 17-(acetyloxy)-, (17b)-

Molecular Formula

C₂₁H₂₈O₃

Molecular Weight

328.4 g/mol

InChI Key

KPCDGGNHYODURF-PXQJOHHUSA-N

FDA UNII

3T5IZ3HS3X

1 2D Structure

Boldenone Acetate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C21H28O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h8,10,12,16-19H,4-7,9,11H2,1-3H3/t16-,17-,18-,19-,20-,21-/m0/s1

2.1.3 InChI Key

KPCDGGNHYODURF-PXQJOHHUSA-N

2.1.4 Canonical SMILES

CC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)C=CC34C)C

2.1.5 Isomeric SMILES

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

2.2 Other Identifiers

2.2.1 UNII

3T5IZ3HS3X

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 17 Beta-acetoxy-delta-(1,5)-androstadien-3-one

2.3.2 Depositor-Supplied Synonyms

1. 2363-59-9

2. Boldenone 17-acetate

3. 17beta-acetoxyandrosta-1,4-dien-3-one

4. 3t5iz3hs3x

5. [(8r,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] Acetate

6. Androsta-1,4-dien-3-one, 17-(acetyloxy)-, (17b)-

7. 1-dehydrotestosterone Acetate

8. Unii-3t5iz3hs3x

9. Androsta-1,4-dien-3-one, 17-(acetyloxy)-, (17.beta.)-

10. Einecs 219-112-8

11. 17beta-acetoxy-delta-(1,5)-androstadien-3-one

12. Schembl8346843

13. Dtxsid60946450

14. 1-dehydroteststerone Acetate

15. Bcp10780

16. Zinc5166613

17. Akos015914067

18. Ds-6009

19. 17beta-acetoxy-androsta-l,4-dien-3-one

20. 1,4-androstadien-17beta-ol-3-one Acetate

21. 1,2-didehydrotestosterone 17-o-acetate

22. (17beta)-hydroxyandrosta-1,4-dien-3-one Acetate

23. 17.beta.-acetoxyandrosta-1,4-dien-3-one

24. W-107390

25. Q27258009

26. (17.beta.)-17-(acetyloxy)androsta-1,4-dien-3-one

27. Acetic Acid (8r,10r,13s,17s)-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3h-cyclopenta[a]phenanthren-17-yl Ester

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₂₈O₃
Molecular Weight	328.4 g/mol
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	328.20384475 g/mol
Monoisotopic Mass	328.20384475 g/mol
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	646
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