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| CAS No.: | 5721-91-5 |
|---|---|
| Name: | Testosterone decanoate |
| Molecular Structure: | |
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| Formula: | C29H46O3 |
| Molecular Weight: | 442.682 |
| Synonyms: | Testosterone,decanoate (6CI,7CI,8CI);Decanoic acid, ester with testosterone (8CI);17b-Hydroxyandrost-4-en-3-one decanoate;NSC 26642;Testosterone 17-caprinate;Testosterone 17-decanoate;Testosterone caprate;Testosterone caprinate;Testosterone Decaonate;Androst-4-en-3-one,17-[(1-oxodecyl)oxy]-, (17b)-; |
| EINECS: | 227-226-4 |
| Density: | 1.04 g/cm3 |
| Melting Point: | 38 °C |
| Boiling Point: | 539.2 °C at 760 mmHg |
| Flash Point: | 226.4 °C |
| Appearance: | White or yellow-white crystalline powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-40 |
| Safety: | 22-36 |
| PSA: | 43.37000 |
| LogP: | 7.57080 |
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| Conditions | Yield |
|---|---|
| With pyridine Ambient temperature; | 85% |
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| Conditions | Yield |
|---|---|
| at 200℃; |
| Conditions | Yield |
|---|---|
| at 70℃; for 0.25h; |
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- 5721-91-5
3-oxoandrost-4-en-17β-yl decanoate
| Conditions | Yield |
|---|---|
| With ammonium iodide; 1,4-dithio-erythritol at 60℃; for 0.25h; |
| Conditions | Yield |
|---|---|
| at 70℃; for 0.25h; |
| Conditions | Yield |
|---|---|
| at 70℃; for 0.25h; |
- 5721-91-5
3-oxoandrost-4-en-17β-yl decanoate
| Conditions | Yield |
|---|---|
| With hydrogen; platinum(IV) oxide In acetic acid for 1h; Ambient temperature; |
- 5721-91-5
3-oxoandrost-4-en-17β-yl decanoate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: H2 / PtO2 / acetic acid / 1 h / Ambient temperature 2: Jones reagent / acetone / 0.08 h View Scheme |
- 5721-91-5
3-oxoandrost-4-en-17β-yl decanoate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: H2 / PtO2 / acetic acid / 1 h / Ambient temperature 2: Jones reagent / acetone / 0.08 h View Scheme |
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Specification
1. Introduction of Testosterone decanoate
The IUPAC name of Testosterone decanoate is [(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. With the CAS registry number 5721-91-5, it is also named as 17beta-Hydroxyandrost-4-en-3-one decanoate. The product's categorie is steroids. Additionally, it is white or yellow-white crystalline powder which is used as pharmaceutical raw material.
2. Properties of Testosterone decanoate
The other characteristics of this product can be summarized as: (1)ACD/LogP: 8.62; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.62; (4)ACD/LogD (pH 7.4): 8.62; (5)#H bond acceptors: 3; (6)#Freely Rotating Bonds: 10; (7)Index of Refraction: 1.523; (8)Molar Refractivity: 129.74 cm3; (9)Molar Volume: 424.2 cm3; (10)Polarizability: 51.43×10-24 cm3; (11)Surface Tension: 40.9 dyne/cm; (12)Enthalpy of Vaporization: 81.66 kJ/mol; (13)Vapour Pressure: 1.08E-11 mmHg at 25°C; (14)Rotatable Bond Count: 10; (15)Tautomer Count: 5; (16)Exact Mass: 442.344695; (17)MonoIsotopic Mass: 442.344695; (18)Topological Polar Surface Area: 43.4; (19)Heavy Atom Count: 32; (20)Complexity: 724.
3. Structure Descriptors of Testosterone decanoate
You could convert the following datas into the molecular structure:
1). SMILES:O=C4\C=C2/[C@]([C@H]1CC[C@@]3([C@@H](OC(=O)CCCCCCCCC)CC[C@H]3[C@@H]1CC2)C)(C)CC4
2). InChI:InChI=1/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.
4. Safety Information of Testosterone decanoate
When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed, so peopel should not breathe dust. And Testosterone decanoate has limited evidence of a carcinogenic effect. If you want to contact this product, you must wear suitable protective clothing.