NAV

Trestolone acetate

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Trestolone acetate
DrugBank Accession Number
DB13958
Background

Trestolone acetate is a synthetic and injected anabolic–androgenic steroid (AAS) and a derivative of nandrolone (19-nortestosterone) which was never marketed. It is an androgen ester – specifically, the C17 acetate ester of Trestolone.

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 330.468
Monoisotopic: 330.219494826
Chemical Formula
C21H30O3
Synonyms
  • 17beta-Hydroxy-7alpha-methylestr-4-en-3-one acetate
  • 17β-Hydroxy-7α-methylestr-4-en-3-one acetate
  • 7α-methyl-19-nortestosterone 17β-acetate
  • 7α-Methyl-19-nortestosterone acetate
  • Orgasteron acetate
  • Trestolone acetate
External IDs
  • CDB 903
  • CDB-903
  • NSC-69948
  • U-15,614
  • U-15614
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
DrugInteraction
Integrate drug-drug
interactions in your software
AbciximabTrestolone acetate may increase the anticoagulant activities of Abciximab.
AcenocoumarolTrestolone acetate may increase the anticoagulant activities of Acenocoumarol.
AlteplaseTrestolone acetate may increase the anticoagulant activities of Alteplase.
AncrodTrestolone acetate may increase the anticoagulant activities of Ancrod.
AnistreplaseTrestolone acetate may increase the anticoagulant activities of Anistreplase.
Food Interactions
Not Available

Products

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Active Moieties
NameKindUNIICASInChI Key
Trestoloneprodrug40P3287I943764-87-2YSGQGNQWBLYHPE-CFUSNLFHSA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as steroid esters. These are compounds containing a steroid moiety which bears a carboxylic acid ester group.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Sub Class
Steroid esters
Direct Parent
Steroid esters
Alternative Parents
Estrogens and derivatives / 3-oxo delta-4-steroids / Delta-4-steroids / Cyclohexenones / Carboxylic acid esters / Monocarboxylic acids and derivatives / Organic oxides / Hydrocarbon derivatives
Substituents
3-oxo-delta-4-steroid / 3-oxosteroid / Aliphatic homopolycyclic compound / Carbonyl group / Carboxylic acid derivative / Carboxylic acid ester / Cyclic ketone / Cyclohexenone / Delta-4-steroid / Estrane-skeleton
Molecular Framework
Aliphatic homopolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
52XDF4N1XL
CAS number
6157-87-5
InChI Key
IVCRCPJOLWECJU-XQVQQVTHSA-N
InChI
InChI=1S/C21H30O3/c1-12-10-14-11-15(23)4-5-16(14)17-8-9-21(3)18(20(12)17)6-7-19(21)24-13(2)22/h11-12,16-20H,4-10H2,1-3H3/t12-,16+,17-,18+,19+,20-,21+/m1/s1
IUPAC Name
(1S,3aS,3bR,4R,9aR,9bS,11aS)-4,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl acetate
SMILES
[H][C@@]12CC[C@H](OC(C)=O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3C[C@@H](C)[C@@]21[H]

References

General References
Not Available
ChemSpider
8421572
ChEMBL
CHEMBL452329
Wikipedia
Trestolone_acetate

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00582 mg/mLALOGPS
logP3.12ALOGPS
logP3.79Chemaxon
logS-4.8ALOGPS
pKa (Strongest Acidic)18.34Chemaxon
pKa (Strongest Basic)-4.7Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area43.37 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity93.65 m3·mol-1Chemaxon
Polarizability38.59 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-0019000000-b97ed1c73fc2423987f6
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-056r-4009000000-22dc7c75d04358904734
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-01q3-0954000000-2e5c7fdba803ed3d99a3
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-9001000000-14e3dcf14844abc21f2a
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-054o-9003000000-da2bf79183bab9e813fa
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-006x-2940000000-73443b941a58b7ae814f
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at January 16, 2018 18:40 / Updated at February 21, 2021 18:54