NAV

Amezinium metilsulfate

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

Identification

Generic Name
Amezinium metilsulfate
DrugBank Accession Number
DB13330
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Similar Structures
Weight
Average: 313.33
Monoisotopic: 313.073241769
Chemical Formula
C12H15N3O5S
Synonyms
  • Amezinium metilsulfate
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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

ATC Codes
C01CA25 — Amezinium metilsulfate
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as aminopyridazines. These are organic compounds containing an amino group attached to a pyridazine ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazines
Sub Class
Pyridazines and derivatives
Direct Parent
Aminopyridazines
Alternative Parents
Alkyl aryl ethers / Sulfuric acid monoesters / Benzene and substituted derivatives / Alkyl sulfates / Heteroaromatic compounds / Azacyclic compounds / Primary amines / Organopnictogen compounds / Organic salts / Organic oxides
show 1 more
Substituents
Alkyl aryl ether / Alkyl sulfate / Amine / Aminopyridazine / Aromatic heteromonocyclic compound / Azacycle / Benzenoid / Ether / Heteroaromatic compound / Hydrocarbon derivative
show 13 more
Molecular Framework
Not Available
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
03NR868ICX
CAS number
30578-37-1
InChI Key
ZEASXVYVFFXULL-UHFFFAOYSA-N
InChI
InChI=1S/C11H11N3O.CH4O4S/c1-15-11-7-9(12)8-13-14(11)10-5-3-2-4-6-10;1-5-6(2,3)4/h2-8,12H,1H3;1H3,(H,2,3,4)
IUPAC Name
4-amino-6-methoxy-1-phenyl-1lambda5-pyridazin-1-ylium methyl sulfate
SMILES
COS([O-])(=O)=O.COC1=CC(N)=CN=[N+]1C1=CC=CC=C1

References

General References
Not Available
ChemSpider
64937
ChEBI
31201
ChEMBL
CHEMBL2106667
Wikipedia
Amezinium_metilsulfate

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 Solubility0.117 mg/mLALOGPS
logP1.74ALOGPS
logP-1.8Chemaxon
logS-3.4ALOGPS
pKa (Strongest Basic)-1.9Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area52.02 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity59.18 m3·mol-1Chemaxon
Polarizability21.36 Å3Chemaxon
Number of Rings2Chemaxon
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 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-151.4214706
predicted
DarkChem Lite v0.1.0
[M-H]-165.09247
predicted
DeepCCS 1.0 (2019)
[M+H]+151.0952706
predicted
DarkChem Lite v0.1.0
[M+H]+167.45045
predicted
DeepCCS 1.0 (2019)
[M+Na]+151.9009706
predicted
DarkChem Lite v0.1.0
[M+Na]+174.96236
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:40 / Updated at February 21, 2021 18:54