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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 23454-33-3, Trenbolone hexahydrobenzyl carbonate, Parabolan, Estra-4,9,11-trien-3-one, Bnj7y3jff2, Cyclohexylmethyl [(8s,13s,14s,17s)-13-methyl-3-oxo-2,6,7,8,14,15,16,17-octahydro-1h-cyclopenta[a]phenanthren-17-yl] carbonate

Molecular Formula

C₂₆H₃₄O₄

Molecular Weight

410.5 g/mol

InChI Key

GQJSFWYQKNQCIK-APFRJGHOSA-N

FDA UNII

BNJ7Y3JFF2

1 2D Structure

Trenbolone Cyclohexylmethylcarbonate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

cyclohexylmethyl [(8S,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] carbonate

2.1.2 InChI

InChI=1S/C26H34O4/c1-26-14-13-21-20-10-8-19(27)15-18(20)7-9-22(21)23(26)11-12-24(26)30-25(28)29-16-17-5-3-2-4-6-17/h13-15,17,22-24H,2-12,16H2,1H3/t22-,23+,24+,26+/m1/s1

2.1.3 InChI Key

GQJSFWYQKNQCIK-APFRJGHOSA-N

2.1.4 Canonical SMILES

CC12C=CC3=C4CCC(=O)C=C4CCC3C1CCC2OC(=O)OCC5CCCCC5

2.1.5 Isomeric SMILES

C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)OCC5CCCCC5

2.2 Other Identifiers

2.2.1 UNII

BNJ7Y3JFF2

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 23454-33-3

2. Trenbolone Hexahydrobenzyl Carbonate

3. Parabolan

4. Estra-4,9,11-trien-3-one

5. Bnj7y3jff2

6. Cyclohexylmethyl [(8s,13s,14s,17s)-13-methyl-3-oxo-2,6,7,8,14,15,16,17-octahydro-1h-cyclopenta[a]phenanthren-17-yl] Carbonate

7. Trenbolone Cyclohexylmethyl Carbonate

8. Trenbolone Cyclohexylmethylcarbonate (trenbolone Hexahydrobenzylcarbonate)

9. Unii-bnj7y3jff2

10. Trenbolone Hexahydrobenzylcarbonate

11. Einecs 245-669-1

12. Schembl634933

13. Dtxsid20946113

14. Chebi:134706

15. Estra-4,9,11-trien-3-one, 17-(((cyclohexylmethoxy)carbonyl)oxy)-, (17.beta.)-

16. Bcp10799

17. Zinc6067464

18. Cyclohexylmethyl 17-beta-hydroxyestra-4,9,11-trien-3-one Carbonate

19. Akos016010227

20. Ru-2580

21. Ac-31363

22. Trenbolone Cyclohexylmethylcarbonate [mi]

23. A816731

24. Trenbolone Cyclohexylmethylcarbonate [who-dd]

25. Q27274767

26. 17beta-[[(cyclohexylmethoxy)carbonyl]oxy]estra-4,9,11-trien-3-one

27. Trenbolone Cyclohexylmethylcarbonate 100 Microg/ml In Acetonitrile

28. Cyclohexylmethyl ((8s,13s,14s,17s)-13-methyl-3-oxo-2,3,6,7,8,13,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl) Carbonate

2.4 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₂₆H₃₄O₄
Molecular Weight	410.5 g/mol
XLogP3	5.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	410.24570956 g/mol
Monoisotopic Mass	410.24570956 g/mol
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	813
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1