Methylestrenolone

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

Identification

Generic Name
Methylestrenolone
DrugBank Accession Number
DB13533
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 288.431
Monoisotopic: 288.208930142
Chemical Formula
C19H28O2
Synonyms
  • Normethandrone

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
AbciximabMethylestrenolone may decrease the anticoagulant activities of Abciximab.
AcenocoumarolMethylestrenolone may decrease the anticoagulant activities of Acenocoumarol.
AlteplaseMethylestrenolone may decrease the anticoagulant activities of Alteplase.
AncrodMethylestrenolone may decrease the anticoagulant activities of Ancrod.
AnistreplaseMethylestrenolone may decrease the anticoagulant activities of Anistreplase.
Food Interactions
Not Available

Categories

ATC Codes
G03DC31 — Methylestrenolone
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound 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
3-oxo delta-4-steroids / 17-hydroxysteroids / Delta-4-steroids / Cyclohexenones / Tertiary alcohols / Cyclic alcohols and derivatives / Organic oxides / Hydrocarbon derivatives
Substituents
17-hydroxysteroid / 3-oxo-delta-4-steroid / 3-oxosteroid / Alcohol / Aliphatic homopolycyclic compound / Carbonyl group / Cyclic alcohol / Cyclic ketone / Cyclohexenone / Delta-4-steroid
Molecular Framework
Aliphatic homopolycyclic compounds
External Descriptors
estrogen (CHEBI:34896)
Affected organisms
Not Available

Chemical Identifiers

UNII
743F1Z557A
CAS number
514-61-4
InChI Key
ZXSWTMLNIIZPET-ZOFHRBRSSA-N
InChI
InChI=1S/C19H28O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h11,14-17,21H,3-10H2,1-2H3/t14-,15+,16+,17-,18-,19-/m0/s1
IUPAC Name
(1S,2R,10R,11S,14S,15S)-14-hydroxy-14,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one
SMILES
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C

References

General References
Not Available
KEGG Compound
C14491
ChemSpider
4447645
ChEBI
34896
ChEMBL
CHEMBL2106801
ZINC
ZINC000004217180
Wikipedia
Normethandrone

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

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

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0302 mg/mLALOGPS
logP3.13ALOGPS
logP3.35Chemaxon
logS-4ALOGPS
pKa (Strongest Acidic)19.28Chemaxon
pKa (Strongest Basic)-0.53Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area37.3 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity84.59 m3·mol-1Chemaxon
Polarizability34.21 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
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/MSsplash10-00di-0090000000-de9df1956fc909a61eac
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0090000000-31a76c05f2418b517823
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0090000000-732c85406213591cab5b
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-2940000000-5e4f557161520d54509a
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0390000000-f798e277159473881a51
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0200-0900000000-4d7ea68cd16a84b24d71
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-178.9263819
predicted
DarkChem Lite v0.1.0
[M-H]-172.14229
predicted
DeepCCS 1.0 (2019)
[M+H]+179.3416819
predicted
DarkChem Lite v0.1.0
[M+H]+174.50027
predicted
DeepCCS 1.0 (2019)
[M+Na]+178.9549819
predicted
DarkChem Lite v0.1.0
[M+Na]+181.7176
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:43 / Updated at June 12, 2020 16:53