NAV

Aminaphthone

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

Identification

Summary

Aminaphthone is a medication that inhibits erythrocyte aggregation in capillaries, improving venous return for the treatment of capillary fragility.

Generic Name
Aminaphthone
DrugBank Accession Number
DB13039
Background

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

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 309.321
Monoisotopic: 309.100107967
Chemical Formula
C18H15NO4
Synonyms
  • Aminaftone
  • Aminaphtone
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Pharmacology

Indication

Not Available

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Associated Conditions
Indication TypeIndicationCombined Product DetailsApproval LevelAge GroupPatient CharacteristicsDose Form
Management ofCapillary fragility••••••••••••••••••••••••
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

Products

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Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
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 / Amine / Amino acid or derivatives / Aminobenzoic acid or derivatives / Aniline or substituted anilines / Aromatic homopolycyclic compound / Benzoate ester / Benzoic acid or derivatives / Benzoyl / Carboxylic acid derivative
show 12 more
Molecular Framework
Aromatic homopolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
03JLX11PE9
CAS number
14748-94-8
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

References

General References
Not Available
PubChem Compound
84621
PubChem Substance
347829171
ChemSpider
76340
RxNav
46276
ChEBI
135317
ZINC
ZINC000005419379

Clinical Trials

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

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
CapsuleOral
CapsuleOral75 MG
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-MSsplash10-00di-8900000000-3ad737a619d064173531
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0229-0908000000-f8bb30a73fed0c0a05c7
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0309000000-2d9db3eaedcd1697650b
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0229-0904000000-0247d46d008eeb26a19e
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0229000000-54f4fcb2e36756caaf7b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-3910000000-b10ad74c7b811f451507
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-000f-5920000000-ce0c2c6ed5f7e3312ac0
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]-182.7195858
predicted
DarkChem Lite v0.1.0
[M-H]-165.57884
predicted
DeepCCS 1.0 (2019)
[M+H]+181.8689858
predicted
DarkChem Lite v0.1.0
[M+H]+167.93684
predicted
DeepCCS 1.0 (2019)
[M+Na]+181.8531858
predicted
DarkChem Lite v0.1.0
[M+Na]+174.68648
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 02:18 / Updated at June 12, 2021 10:54