ContaminantDB: 17beta-Trenbolone

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-05-22 04:19:25 UTC

Update Date

2026-05-14 19:10:28 UTC

Accession Number

CHEM017416

Identification

Common Name

17beta-Trenbolone

Class

Small Molecule

Description

Trenbolone, also known as trienolone or trienbolone, is a steroid used on livestock to increase muscle growth and appetite. To increase its effective half-life, trenbolone is administered as a prodrug as an ester conjugate such as [trenbolone acetate], trenbolone enanthate, or trenbolone cyclohexylmethylcarbonate. Plasma lipases then cleave the ester group in the bloodstream leaving free trenbolone.

Contaminant Sources

ToxCast & Tox21 Chemicals

Contaminant Type

Not Available

Chemical Structure

MOL SDF 3D-SDF PDB SMILES InChI View 3D Structure

Synonyms

Value	Source
17-beta-Hydroxyestra-4,9,11-trien-3-one	Kegg
17-b-Hydroxyestra-4,9,11-trien-3-one	Generator
17-Β-hydroxyestra-4,9,11-trien-3-one	Generator
17 beta-Acetoxyestra-4,9,11-trien-3-one	MeSH
Trienbolone acetate	MeSH
Acetate, trienbolone	MeSH
Trienbolone	MeSH
Acetate, trenbolone	MeSH
Trenbolone acetate, (17beta)-isomer	MeSH
Progro TS	MeSH
Progro T-S	MeSH
Trenbolone acetate	MeSH
Progro T S	MeSH
Trenbolone	MeSH

Chemical Formula

C₁₈H₂₂O₂

Average Molecular Mass

270.372 g/mol

Monoisotopic Mass

270.162 g/mol

CAS Registry Number

10161-33-8

IUPAC Name

(1S,3aS,3bS,11aS)-1-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,11aH-cyclopenta[a]phenanthren-7-one

Traditional Name

trenbolone

SMILES

[H][C@]1(O)CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CCC4=C3C=C[C@]12C

InChI Identifier

InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h8-10,15-17,20H,2-7H2,1H3/t15-,16+,17+,18+/m1/s1

InChI Key

MEHHPFQKXOUFFV-OWSLCNJRSA-N

Chemical Taxonomy

Description

belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Estrane steroids

Direct Parent

Estrogens and derivatives

Alternative Parents

Substituents

Estrogen-skeleton
3-oxosteroid
Hydroxysteroid
17-hydroxysteroid
Oxosteroid
Cyclohexenone
Cyclic alcohol
Cyclic ketone
Ketone
Secondary alcohol
Organic oxygen compound
Hydrocarbon derivative
Organic oxide
Carbonyl group
Alcohol
Organooxygen compound
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

oxo steroid (CHEBI:35018 )
Estrane and derivatives (C14261 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	0.059 g/L	ALOGPS
logP	2.47	ALOGPS
logP	2.25	ChemAxon
logS	-3.7	ALOGPS
pKa (Strongest Acidic)	18.9	ChemAxon
pKa (Strongest Basic)	-0.89	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	37.3 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	81.65 m³·mol⁻¹	ChemAxon
Polarizability	31.23 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0uk9-0090000000-5009319e288204306f7f	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0uk9-0390000000-c3475882706cd11cbe8c	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0w2c-4950000000-d4f429dee5ddda662705	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-014i-0090000000-c696cbd8f16bc1bf86ac	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-014i-0090000000-2c9b1260b5d8738e10a0	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0udr-1190000000-ada6982bfca1f1d3d9f0	Spectrum

Toxicity Profile

Route of Exposure

Not Available

Mechanism of Toxicity

Not Available

Metabolism

Not Available

Toxicity Values

Not Available

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

Not Available

Uses/Sources

Not Available

Minimum Risk Level

Not Available

Health Effects

Not Available

Symptoms

Not Available

Treatment

Not Available

Concentrations

Not Available

External Links

DrugBank ID

DB11551

HMDB ID

Not Available

FooDB ID

Not Available

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

Not Available

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Trenbolone

Chemspider ID

Not Available

ChEBI ID

Not Available

PubChem Compound ID

25015

Kegg Compound ID

C14261

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

Not Available

17beta-Trenbolone (CHEM017416)

Structure for CHEM017416: 17beta-Trenbolone