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Testosterone

Athanor · official

C19H28O2 · 288.4 g/mol

IUPAC name: (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Also called Androgel, androgen, male sex hormone

LipidsDrugs
Open in Athanor
The structure of Testosterone
Drawn from its SMILES with RDKit
Harmful or irritantHealth hazardEnvironmental hazardDangerHarmful if swallowed · May cause cancer · Suspected of causing cancer · May damage fertility or the unborn child · Suspected of damaging fertility or the unborn child · May cause harm to breast-fed children · Causes damage to organs through prolonged or repeated exposure · Very toxic to aquatic life · Very toxic to aquatic life with long lasting effects

Names and identifiers

IUPAC name
(8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Synonyms
Androgel, androgen, male sex hormone
+ 38 more

Virosterone, Homosterone, Mertestate, Testim, Androderm, Testosteron, Androlin, Sustanon, Testiculosterone, Orquisteron, Primoteston, Testosteroid, Andrusol, Homosteron, Primotest, Sustanone, Testobase, Testoderm, Testrone, Testryl, Teslen, Synandrol F, Andronaq, Neotestis, Testandrone, Testogel, Testopropon, Relibra, Cristerona T, Testoviron Schering, Testoviron T, Geno-cristaux gremy, Andropatch, trans-Testosterone, 17beta-Hydroxyandrost-4-en-3-one, Testostosterone, Sustason 250, Percutacrine androgenique

Molecular formula
C19H28O2
Empirical formula
C19H28O2
Molecular weight
288.4 g/mol
Exact mass
288.20893
CAS number
58-22-0
PubChem CID
6013
Canonical SMILES
CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C
Isomeric SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C
InChI
InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
InChIKey
MUMGGOZAMZWBJJ-DYKIIFRCSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Physical properties

TemperaturePressureDensity
Appearance
White or slightly cream-white crystals or crystalline powder[2]
2 values

From Hazardous Substances Data Bank (HSDB), the most authoritative source here.

ValueAs writtenSource
–White or slightly cream-white crystals or crystalline powder.[1] Occupational Safety and Health Administration (OSHA)
–shownWhite or slightly cream-white crystals or crystalline powder[2] Hazardous Substances Data Bank (HSDB)cites Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 1313
Odor
Odorless[2]
Melting point
151.0 °C[2]
3 values

Sources disagree; from Hazardous Substances Data Bank (HSDB), the most authoritative.

ValueAs writtenSource
151.0 °Cshown151.0 °C[2] Hazardous Substances Data Bank (HSDB)cites Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 3-304
153 to 157 °CMP: 153-157 °C[2] Hazardous Substances Data Bank (HSDB)cites Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 1313
155 °C311 °F[1] Occupational Safety and Health Administration (OSHA)
Solubility in water
Insoluble in water[2]
3 values

From Hazardous Substances Data Bank (HSDB), the most authoritative source here.

ValueAs writtenSource
–In water, 23.4 mg/L at 25 °C[2] Hazardous Substances Data Bank (HSDB)cites Yalkowsky, S.H., He, Yan, Jain, P. Handbook of Aqueous Solubility Data Second Edition. CRC Press, Boca Raton, FL 2010, p. 1205
–shownInsoluble in water[2] Hazardous Substances Data Bank (HSDB)cites Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 3-304
–In ethanol: 1 in 5; in chloroform: 1 in 2; in diethyl ether: 1 in 100; in ethyl oleate: 1 in 150. Sol in acetone, dioxane and fixed oils[2] Hazardous Substances Data Bank (HSDB)cites IARC. Monographs on the Evaluation of the Carcinogenic Risk of Chemicals to Humans. Geneva: World Health Organization, International Agency for Research on Cancer, 1972-PRESENT. (Multivolume work).
log P
log Kow = 3.32[2]
Vapor pressure
Reported, but no value passed the checks.
The value and why
  • 1.7x10-8 mmHg (est) (no temperature given; source [1])

Each value as its source reports it, with the source's number after it (listed under References). Where several sources report a property, the row shows the value most of them agree on, the rule the app uses; open the values to see every one.

Calculated

Heavy atoms
21
Rings
4
Aromatic rings
0
Fraction sp³ carbons (Fsp3)
0.84
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
TPSA (Ų)
37.3
Formal charge
0
XLogP3
3.3 PubChem
Complexity
508 PubChem
Stereocenters
6 definedCIP: C2: S · C5: S · C6: R · C15: R · C17: S · C20: S
Double-bond geometry
None specified
Point group
C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

  • C79.12%
  • H9.79%
  • O11.09%

Isotope pattern

100%288.20921%289.2122.5%290.215291.218

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P
3.88 Crippen (Wildman and Crippen 1999)
log S (water solubility)
-4.07 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
3.9 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 288.43
  • log P ≤ 5 (Crippen): 3.88
  • H-bond donors ≤ 5: 1
  • H-bond acceptors ≤ 10: 2

Passes all four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

Danger

Most widely reported: 231 company reports to ECHA. Source [3].

  • Harmful or irritant
  • Health hazard
  • Environmental hazard
  • H302Harmful if swallowed (64.9% of reports)
  • H350May cause cancer (34.2% of reports)
  • H351Suspected of causing cancer (66.2% of reports)
  • H360May damage fertility or the unborn child (76.2% of reports)
  • H361Suspected of damaging fertility or the unborn child (19% of reports)
  • H362May cause harm to breast-fed children (28.1% of reports)
  • H372Causes damage to organs through prolonged or repeated exposure (15.6% of reports)
  • H400Very toxic to aquatic life (64.9% of reports)
  • H410Very toxic to aquatic life with long lasting effects (15.2% of reports)

Precautionary statements: P203, P260, P263, P264, P270, P273, P280, P301+P317, P318, P319, P330, P391, P405, P501

View all classifications (2)
  • [3] European Chemicals Agency (ECHA) · 231 reports · DangerH302, H350, H351, H360, H361, H362, H372, H400, H410
  • [2] Hazardous Substances Data Bank (HSDB) · DangerH302, H351, H360, H400

Storage

  • Keep container tightly closed in a dry and well-ventilated place. Storage class (TRGS 510): Non-combustible, acute toxic Cat.3 / toxic hazardous materials or hazardous materials causing chronic effects.[2]
  • Commercially available testosterone preparations should be stored at a temperature less than 40 °C, preferably between 15-30 °C; freezing of the sterile suspension and injections should be avoided. A precipitate may form if the injections are stored at a low temperature; however, this will dissolve after shaking and warming to room temperature. Use of a wet needle or syringe may cause the parenteral solutions to become cloudy; however, this will not affect potency.[2]

Incompatibilities

  • Incompatible materials: Strong oxidizing agents.[2]

Always read the supplier’s safety data sheet before working with it.

Spectra

Experimental spectra held by these sources; each link opens the source's own record.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

  1. [1]Occupational Safety and Health Administration (OSHA) · Public domain (US DOL) · via PubChem · retrieved 2026-10-14
  2. [2]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
  3. [3]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
  4. [4]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
  5. [5]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
  6. [6]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
  7. [7]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
  8. [8]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
  9. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  10. ·Literature on PubChem

Data last updated 2026-10-14.