Aminaphthone

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

Identification

Name
Aminaphthone
Accession Number
DB13039
Type
Small Molecule
Groups
Investigational
Description

Aminaftone has been investigated for the treatment of Cockett Syndrome, May-Thurner Syndrome, and Iliac Vein Obstruction.

Structure
Thumb
Synonyms
  • Aminaftone
  • Aminaphtone
Categories
UNII
03JLX11PE9
CAS number
14748-94-8
Weight
Average: 309.321
Monoisotopic: 309.100107967
Chemical Formula
C18H15NO4
InChI Key
YLMPBJUYFTWHKJ-UHFFFAOYSA-N
InChI
InChI=1S/C18H15NO4/c1-10-15(20)13-4-2-3-5-14(13)16(21)17(10)23-18(22)11-6-8-12(19)9-7-11/h2-9,20-21H,19H2,1H3
IUPAC Name
1,4-dihydroxy-3-methylnaphthalen-2-yl 4-aminobenzoate
SMILES
CC1=C(OC(=O)C2=CC=C(N)C=C2)C(O)=C2C=CC=CC2=C1O

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
84621
PubChem Substance
347829171
ChemSpider
76340
ChEBI
135317

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4CompletedTreatmentCockett Syndrome / Iliac Vein Compression Syndrome / Iliac Vein Obstruction1

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 Solubility0.0147 mg/mLALOGPS
logP3.68ALOGPS
logP4.35ChemAxon
logS-4.3ALOGPS
pKa (Strongest Acidic)9.55ChemAxon
pKa (Strongest Basic)2.54ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area92.78 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity88.01 m3·mol-1ChemAxon
Polarizability31.49 Å3ChemAxon
Number of Rings3ChemAxon
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 GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Naphthalenes
Sub Class
Naphthols and derivatives
Direct Parent
Naphthols and derivatives
Alternative Parents
Benzoic acid esters / Aminobenzoic acids and derivatives / Hydroquinones / Benzoyl derivatives / Aniline and substituted anilines / Carboxylic acid esters / Amino acids and derivatives / Monocarboxylic acids and derivatives / Primary amines / Organopnictogen compounds
show 3 more
Substituents
1-naphthol / Aminobenzoic acid or derivatives / Benzoate ester / Benzoic acid or derivatives / Benzoyl / Hydroquinone / Aniline or substituted anilines / Monocyclic benzene moiety / Amino acid or derivatives / Carboxylic acid ester
show 12 more
Molecular Framework
Aromatic homopolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 20:18 / Updated on November 02, 2018 07:33