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Testosterone benzoate

CAT: 0013-GTR19156501-04Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19156501-04Size:1 g
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Description
Testosterone benzoate is a synthetic, injected anabolic androgenic steroid (AAS) and an androgen ester specifically.
CAS Number
2088-71-3
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Smiles
C[C@@]12[C@@H] (OC (C3=CC=CC=C3) =O) CC[C@@]1 ([H]) [C@]4 ([H]) CCC5=CC (CC[C@]5 (C) [C@@]4 ([H]) CC2) =O
Molecular Formula
C26H32O3
Molecular Weight
392.53
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Testosterone benzoate
CAS Number2088-71-3
PubChem CID101474
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] benzoate
Molecular FormulaC26H32O3
Molecular Weight392.5
XLogP5.6
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity717
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)C4=CC=CC=C4)CCC5=CC(=O)CC[C@]35C
InChI
InChI=1S/C26H32O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-7,16,20-23H,8-15H2,1-2H3/t20-,21-,22-,23-,25-,26-/m0/s1
InChIKey
RZJSCADWIWNGKI-IXKNJLPQSA-N
Chemical Structure
2D Structure
2D structure of Testosterone benzoate
CAS: 2088-71-3
CID: 101474
Formula: C26H32O3
MW: 392.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.5
XLogP35.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass392.23514488
Monoisotopic Mass392.23514488
Topological Polar Surface Area43.4 Ų
Heavy Atom Count29
Formal Charge0
Complexity717
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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