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Technical details about Testosterone Dodecanoate, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: Testosterone dodecanoate, Oe4q4w32jk, 59232-78-9, [(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] dodecanoate, Unii-oe4q4w32jk, Schembl5078095
Molecular Formula
C31H50O3
Molecular Weight
470.7  g/mol
InChI Key
KTROUBQZLCALOQ-DQUDHZTESA-N
FDA UNII
OE4Q4W32JK

1 2D Structure

2D Structure

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] dodecanoate
2.1.2 InChI
InChI=1S/C31H50O3/c1-4-5-6-7-8-9-10-11-12-13-29(33)34-28-17-16-26-25-15-14-23-22-24(32)18-20-30(23,2)27(25)19-21-31(26,28)3/h22,25-28H,4-21H2,1-3H3/t25-,26-,27-,28-,30-,31-/m0/s1
2.1.3 InChI Key
KTROUBQZLCALOQ-DQUDHZTESA-N
2.1.4 Canonical SMILES
CCCCCCCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
2.1.5 Isomeric SMILES
CCCCCCCCCCCC(=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
OE4Q4W32JK
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Testosterone Dodecanoate

2. Oe4q4w32jk

3. 59232-78-9

4. [(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] Dodecanoate

5. Unii-oe4q4w32jk

6. Schembl5078095

7. (17-beta)-3-oxoandrost-4-en-17-yl Dodecanoate

8. (17beta)-17-((1-oxododecyl)oxy)androst-4-en-3-one

9. Androst-4-en-3-one, 17-((1-oxododecyl)oxy)-, (17beta)-

10. (17.beta.)-17-((1-oxododecyl)oxy)androst-4-en-3-one

11. Androst-4-en-3-one, 17-((1-oxododecyl)oxy)-, (17.beta.)-

2.4 Create Date
2012-06-14
3 Chemical and Physical Properties
Molecular Weight 470.7 g/mol
Molecular Formula C31H50O3
XLogP39.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count12
Exact Mass470.37599545 g/mol
Monoisotopic Mass470.37599545 g/mol
Topological Polar Surface Area43.4 Ų
Heavy Atom Count34
Formal Charge0
Complexity754
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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