Structure Database (LMSD)
Common Name
Testosterone enanthate
Systematic Name
17-heptanoyl-17β-hydroxyandrost-4-en-3-one
Synonyms
LM ID
LMST02020075
Formula
Exact Mass
Calculate m/z
400.297745
Sum Composition
Status
Curated
3D model of Testosterone enanthate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Biological Context
Testosterone enanthate is an analytical reference standard categorized as an anabolic androgenic steroid. It is an ester of the naturally occurring androgen, testosterone (ISO60154) with a longer half-life.1 Formulations containing testosterone enanthate have been tested for use in hypogonadism and as a potential male contraceptive.2,3 Formulations containing it have been associated with higher levels of total cholesterol, low density lipoproteins, and triglycerides and lower levels of high density lipoproteins.4 Anabolic steroids, including testosterone enanthate, have been used to enhance physical performance in racehorses and athletes, and methods to detect steroids, their derivatives, and their metabolites have been developed.5,6 This product is intended for research and forensic applications.
This information has been provided by Cayman Chemical
References
4. Rane, A., and Ekström, L. Androgens and doping tests: Genetic variation and pit-falls. Br. J. Clin. Pharmacol. 74(1), 3-15 (2012).
String Representations
InChiKey (Click to copy)
VOCBWIIFXDYGNZ-IXKNJLPQSA-N
InChi (Click to copy)
InChI=1S/C26H40O3/c1-4-5-6-7-8-24(28)29-23-12-11-21-20-10-9-18-17-19(27)13-15-25(18,2)22(20)14-16-26(21,23)3/h17,20-23H,4-16H2,1-3H3/t20-,21-,22-,23-,25-,26-/m0/s1
SMILES (Click to copy)
[C@@]12([H])CCC3=CC(CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])OC(=O)CCCCCC)=O
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
Cayman ID
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
4
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
427.37
Topological Polar Surface Area
43.37
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
3
logP
6.69
Molar Refractivity
115.86
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Created at
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Updated at
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