NAV

Dimethandrolone Undecanoate

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

Identification

Generic Name
Dimethandrolone Undecanoate
DrugBank Accession Number
DB16141
Background

Dimethandrolone Undecanoate is under investigation in clinical trial NCT03455075 (Study of Spermatogenesis Suppression With DMAU Alone or With LNG Versus Placebo Alone in Normal Men).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 470.738
Monoisotopic: 470.37599547
Chemical Formula
C31H50O3
Synonyms
Not Available
External IDs
  • CDB-4521
  • DMAU
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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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
VMT7Z23GLM
CAS number
366472-45-9
InChI Key
FVICENFBEMJOCE-RTFNQGFNSA-N
InChI
InChI=1S/C31H50O3/c1-5-6-7-8-9-10-11-12-13-28(33)34-27-17-16-26-30-21(2)18-23-19-24(32)14-15-25(23)29(30)22(3)20-31(26,27)4/h19,21-22,25-27,29-30H,5-18,20H2,1-4H3/t21-,22+,25+,26+,27+,29-,30+,31+/m1/s1
IUPAC Name
(1S,3aS,3bR,4R,9aR,9bS,10S,11aS)-4,10,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl undecanoate
SMILES
[H][C@@]12CC[C@H](OC(=O)CCCCCCCCCC)[C@@]1(C)C[C@H](C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3C[C@@H](C)[C@@]21[H]

References

General References
Not Available
ChemSpider
68025242

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Unknown StatusOtherHealthy Volunteers (HV) / Male Contraception / Men1
1CompletedTreatmentHealthy Men / Male Contraception1
1RecruitingOtherHealthy Men / Male Contraception1

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 Solubility4.39e-05 mg/mLALOGPS
logP6.25ALOGPS
logP8.34Chemaxon
logS-7ALOGPS
pKa (Strongest Acidic)18.3Chemaxon
pKa (Strongest Basic)-4.7Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area43.37 Å2Chemaxon
Rotatable Bond Count11Chemaxon
Refractivity139.64 m3·mol-1Chemaxon
Polarizability59.02 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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/MSsplash10-00dr-4230900000-addf2f7d50a7e89b3f25
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0100900000-5e11ccda522805a1ad3c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014r-2920700000-ad2a0f0b172f29c1e296
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000f-9353500000-261a69f67a414e47d78a
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-07vi-5910700000-901a794d84635f7f56c3
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-000f-9241000000-7861d8d2c8c04f32611c
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:13 / Updated at December 20, 2020 03:37