This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Amezinium metilsulfate
- DrugBank Accession Number
- DB13330
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Amezinium metilsulfate (DB13330)
- Weight
- Average: 313.33
Monoisotopic: 313.073241769 - Chemical Formula
- C12H15N3O5S
- Synonyms
- Amezinium metilsulfate
Pharmacology
- Indication
Not Available
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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- 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
- External Links
- ChemSpider
- 64937
- ChEBI
- 31201
- ChEMBL
- CHEMBL2106667
- Wikipedia
- Amezinium_metilsulfate
Clinical Trials
- Clinical Trials
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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
Property Value Source Water Solubility 0.117 mg/mL ALOGPS logP 1.74 ALOGPS logP -1.8 Chemaxon logS -3.4 ALOGPS pKa (Strongest Basic) -1.9 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 52.02 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 59.18 m3·mol-1 Chemaxon Polarizability 21.36 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 151.4214706 predictedDarkChem Lite v0.1.0 [M-H]- 165.09247 predictedDeepCCS 1.0 (2019) [M+H]+ 151.0952706 predictedDarkChem Lite v0.1.0 [M+H]+ 167.45045 predictedDeepCCS 1.0 (2019) [M+Na]+ 151.9009706 predictedDarkChem Lite v0.1.0 [M+Na]+ 174.96236 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:40 / Updated at February 21, 2021 18:54