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Testosterone undecanoate

CAT: 0013-GTR19155388-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19155388-01Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Testosterone undecanoate is a metabolite of Testosterone, which is a promising androgen for male hormonal contraception.
CAS Number
5949-44-0
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
DMSO:Insoluble; Water:Insoluble
Smiles
CCCCCCCCCCC (=O) O[C@H]1CC[C@@H]2[C@@]1 (CC[C@H]3[C@H]2CCC4=CC (=O) CC[C@]34C) C
Molecular Formula
C30H48O3
Molecular Weight
456.71
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Testosterone, undecanoate

Testosterone undecanoate is a steroid ester.

CAS Number5949-44-0
PubChem CID65157
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] undecanoate
Molecular FormulaC30H48O3
Molecular Weight456.7
XLogP8.5
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Heavy Atom Count33
Formal Charge0
Complexity739
SMILES
CCCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
InChI
InChI=1S/C30H48O3/c1-4-5-6-7-8-9-10-11-12-28(32)33-27-16-15-25-24-14-13-22-21-23(31)17-19-29(22,2)26(24)18-20-30(25,27)3/h21,24-27H,4-20H2,1-3H3/t24-,25-,26-,27-,29-,30-/m0/s1
InChIKey
UDSFVOAUHKGBEK-CNQKSJKFSA-N
Chemical Structure
2D Structure
2D structure of Testosterone, undecanoate
CAS: 5949-44-0
CID: 65157
Formula: C30H48O3
MW: 456.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.7
XLogP38.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Exact Mass456.36034539
Monoisotopic Mass456.36034539
Topological Polar Surface Area43.4 Ų
Heavy Atom Count33
Formal Charge0
Complexity739
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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