NAV

Moxestrol

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

Identification

Generic Name
Moxestrol
DrugBank Accession Number
DB13418
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 326.436
Monoisotopic: 326.188194697
Chemical Formula
C21H26O3
Synonyms
  • Moxestrol
External IDs
  • R 2858
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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
AbciximabMoxestrol may decrease the anticoagulant activities of Abciximab.
AceclofenacAceclofenac may increase the thrombogenic activities of Moxestrol.
AcenocoumarolMoxestrol may decrease the anticoagulant activities of Acenocoumarol.
AcetohexamideThe therapeutic efficacy of Acetohexamide can be decreased when used in combination with Moxestrol.
AdalimumabMoxestrol may increase the thrombogenic activities of Adalimumab.
Food Interactions
Not Available

Categories

ATC Codes
G03CB04 — Moxestrol
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-hydroxysteroids / 17-hydroxysteroids / Phenanthrenes and derivatives / Tetralins / 1-hydroxy-2-unsubstituted benzenoids / Ynones / Tertiary alcohols / Cyclic alcohols and derivatives / Dialkyl ethers / Acetylides
show 1 more
Substituents
1-hydroxy-2-unsubstituted benzenoid / 17-hydroxysteroid / 3-hydroxysteroid / Acetylide / Alcohol / Aromatic homopolycyclic compound / Benzenoid / Cyclic alcohol / Dialkyl ether / Estrogen-skeleton
show 9 more
Molecular Framework
Aromatic homopolycyclic compounds
External Descriptors
3-hydroxy steroid (CHEBI:34857)
Affected organisms
Not Available

Chemical Identifiers

UNII
6923NT44OW
CAS number
34816-55-2
InChI Key
MTMZZIPTQITGCY-OLGWUGKESA-N
InChI
InChI=1S/C21H26O3/c1-4-21(23)10-9-17-16-7-5-13-11-14(22)6-8-15(13)19(16)18(24-3)12-20(17,21)2/h1,6,8,11,16-19,22-23H,5,7,9-10,12H2,2-3H3/t16-,17-,18-,19+,20-,21-/m0/s1
IUPAC Name
(1S,10S,11S,14R,15S,17S)-14-ethynyl-17-methoxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-triene-5,14-diol
SMILES
CO[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(O)=CC=C3[C@@H]12

References

General References
Not Available
KEGG Compound
C14757
ChemSpider
10128336
BindingDB
50218560
ChEBI
34857
ChEMBL
CHEMBL1628161
ZINC
ZINC000003815417
Wikipedia
Moxestrol

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 Solubility0.00928 mg/mLALOGPS
logP2.84ALOGPS
logP3.23Chemaxon
logS-4.6ALOGPS
pKa (Strongest Acidic)10.21Chemaxon
pKa (Strongest Basic)-3.7Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area49.69 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity93.72 m3·mol-1Chemaxon
Polarizability37.06 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/MSsplash10-004j-0098000000-8e990c3b4a984ca2efa5
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0009000000-28c12c45b293910813b0
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0029000000-3f52e2211a4b1e512890
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0590000000-273324c8d4fd1742234e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0091000000-7cc0e7e4ea6ab60d864d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0aba-0930000000-a65ee5ee8722712e4030
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]-189.64459
predicted
DarkChem Lite v0.1.0
[M-H]-182.01299
predicted
DeepCCS 1.0 (2019)
[M+H]+188.12709
predicted
DarkChem Lite v0.1.0
[M+H]+184.40854
predicted
DeepCCS 1.0 (2019)
[M+Na]+190.32106
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:41 / Updated at February 21, 2021 18:54