NAV

Adelmidrol

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

Identification

Generic Name
Adelmidrol
DrugBank Accession Number
DB16083
Background

Adelmidrol is under investigation in clinical trial NCT01420510 (Saginil in vs. Placebo for Gynecologic Oncology Patients Affected by Vaginitis).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 274.361
Monoisotopic: 274.189257325
Chemical Formula
C13H26N2O4
Synonyms
  • Adelmidrol
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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
1BUC3685QU
CAS number
1675-66-7
InChI Key
PAHZPHDAJQIETD-UHFFFAOYSA-N
InChI
InChI=1S/C13H26N2O4/c16-10-8-14-12(18)6-4-2-1-3-5-7-13(19)15-9-11-17/h16-17H,1-11H2,(H,14,18)(H,15,19)
IUPAC Name
N,N'-bis(2-hydroxyethyl)nonanediamide
SMILES
OCCNC(=O)CCCCCCCC(=O)NCCO

References

General References
Not Available
ChemSpider
154047
ChEMBL
CHEMBL2105967
ZINC
ZINC000004538773
Wikipedia
Adelmidrol

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2, 3Unknown StatusPreventionVaginal Inflammation1

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 Solubility1.05 mg/mLALOGPS
logP0.11ALOGPS
logP-0.72Chemaxon
logS-2.4ALOGPS
pKa (Strongest Acidic)15.07Chemaxon
pKa (Strongest Basic)-1Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area98.66 Å2Chemaxon
Rotatable Bond Count12Chemaxon
Refractivity72.56 m3·mol-1Chemaxon
Polarizability31.54 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
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, Negative (Annotated)Predicted LC-MS/MSsplash10-0ab9-0090000000-523663c5a06b6f367bc3
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-1190000000-826dce87a75ae8a7824b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0axr-1190000000-ea4a84166919490cc150
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-01oy-9340000000-45759a3070b054159ec7
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0w29-1920000000-7bcc62b20c6fbb56e169
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-06xw-9310000000-e9bb155c54a06beb2c3e
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]-178.5125483
predicted
DarkChem Lite v0.1.0
[M+H]+177.5346483
predicted
DarkChem Lite v0.1.0
[M+Na]+176.6769483
predicted
DarkChem Lite v0.1.0

Drug created at December 15, 2020 18:04 / Updated at February 21, 2021 18:55