Methylestrenolone
Star0
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
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
- Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API
- 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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAbciximab Methylestrenolone may decrease the anticoagulant activities of Abciximab. Acenocoumarol Methylestrenolone may decrease the anticoagulant activities of Acenocoumarol. Alteplase Methylestrenolone may decrease the anticoagulant activities of Alteplase. Ancrod Methylestrenolone may decrease the anticoagulant activities of Ancrod. Anistreplase Methylestrenolone 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
- External Links
- KEGG Compound
- C14491
- ChemSpider
- 4447645
- ChEBI
- 34896
- ChEMBL
- CHEMBL2106801
- ZINC
- ZINC000004217180
- Wikipedia
- Normethandrone
Clinical Trials
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
Property Value Source Water Solubility 0.0302 mg/mL ALOGPS logP 3.13 ALOGPS logP 3.35 Chemaxon logS -4 ALOGPS pKa (Strongest Acidic) 19.28 Chemaxon pKa (Strongest Basic) -0.53 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 84.59 m3·mol-1 Chemaxon Polarizability 34.21 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 - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-00di-0090000000-de9df1956fc909a61eac Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-000i-0090000000-31a76c05f2418b517823 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-000i-0090000000-732c85406213591cab5b Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0002-2940000000-5e4f557161520d54509a Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-000i-0390000000-f798e277159473881a51 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0200-0900000000-4d7ea68cd16a84b24d71 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 178.9263819 predictedDarkChem Lite v0.1.0 [M-H]- 172.14229 predictedDeepCCS 1.0 (2019) [M+H]+ 179.3416819 predictedDarkChem Lite v0.1.0 [M+H]+ 174.50027 predictedDeepCCS 1.0 (2019) [M+Na]+ 178.9549819 predictedDarkChem Lite v0.1.0 [M+Na]+ 181.7176 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:43 / Updated at June 12, 2020 16:53