Mercury Acetate Ion
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Identification
- Generic Name
- Mercury Acetate Ion
- DrugBank Accession Number
- DB02176
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 259.63
Monoisotopic: 260.983929944 - Chemical Formula
- C2H3HgO2
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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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
- Not Available
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as acetate salts. These are organic compounds containing acetic acid as its acid component.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Carboxylic acid derivatives
- Direct Parent
- Acetate salts
- Alternative Parents
- Organic transition metal salts / Monocarboxylic acids and derivatives / Carboxylic acids / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds / Organic cations
- Substituents
- Acetate salt / Aliphatic acyclic compound / Carbonyl group / Carboxylic acid / Hydrocarbon derivative / Monocarboxylic acid or derivatives / Organic cation / Organic oxide / Organic oxygen compound / Organic salt
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- mercury coordination entity (CHEBI:49727)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- QWSOAYZXYZDDPB-UHFFFAOYSA-M
- InChI
- InChI=1S/C2H4O2.Hg/c1-2(3)4;/h1H3,(H,3,4);/q;+2/p-1
- IUPAC Name
- (acetyloxy)mercurylium
- SMILES
- CC(=O)O[Hg+]
References
- General References
- Not Available
- External Links
- PDB Entries
- 1xzb
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 81.5 mg/mL ALOGPS logP 0.16 ALOGPS logP -0.76 Chemaxon logS -0.56 ALOGPS pKa (Strongest Basic) -7.2 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 26.3 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 11.72 m3·mol-1 Chemaxon Polarizability 6.86 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.9299 Blood Brain Barrier + 0.9846 Caco-2 permeable + 0.5188 P-glycoprotein substrate Non-substrate 0.8655 P-glycoprotein inhibitor I Non-inhibitor 0.9751 P-glycoprotein inhibitor II Non-inhibitor 0.9883 Renal organic cation transporter Non-inhibitor 0.9437 CYP450 2C9 substrate Non-substrate 0.8216 CYP450 2D6 substrate Non-substrate 0.9221 CYP450 3A4 substrate Non-substrate 0.7542 CYP450 1A2 substrate Non-inhibitor 0.6948 CYP450 2C9 inhibitor Non-inhibitor 0.8573 CYP450 2D6 inhibitor Non-inhibitor 0.9219 CYP450 2C19 inhibitor Non-inhibitor 0.898 CYP450 3A4 inhibitor Non-inhibitor 0.978 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9615 Ames test Non AMES toxic 0.8752 Carcinogenicity Carcinogens 0.6672 Biodegradation Ready biodegradable 0.9714 Rat acute toxicity 1.9560 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9547 hERG inhibition (predictor II) Non-inhibitor 0.9799
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-0a4i-0090000000-dcf3cee6d1eb65bfd472 - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52