Acetate

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

Identification

Name
Acetate
Accession Number
DB14511
Description
Not Available
Type
Small Molecule
Groups
Experimental
Structure
Thumb
Weight
Average: 59.044
Monoisotopic: 59.01330434
Chemical Formula
C2H3O2
Synonyms
  • Acetate
  • Acetate anion
  • Acetate ion
  • Acetate ion (1-)
  • Acetic acid anion
  • Acetic acid, ion(1-)
  • Acetoxy ion
  • Azetat

Pharmacology

Indication
Not Available
Contraindications & Blackbox Warnings
Learn about our commercial Contraindications & Blackbox Warnings data.
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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
Learn about our commercial Adverse Effects data.
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Toxicity
Not Available
Affected organisms
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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Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
V-NatalAcetate (30 [iU]/1) + Calcium carbonate (45 mg/1) + Cholecalciferol (450 [iU]/1) + Choline bitartrate (55 mg/1) + Cyanocobalamin (10 ug/1) + Ferrous bisglycinate (32 mg/1) + Folic acid (1000 ug/1) + Calcium formate (155 mg/1) + Nicotinamide (20 mg/1) + Potassium Iodide (100 ug/1) + Pyridoxine (50 mg/1) + Riboflavin (3 mg/1) + Sodium ascorbate (120 mg/1) + Thiamine mononitrate (3 mg/1) + Zinc oxide (10 mg/1)Tablet, coatedOralVirtus Pharmaceuticals2012-07-122013-02-19US flag
Virt-Bal DHA PlusAcetate (3 mg/1) + Beta carotene (2850 [iU]/1) + Calcium carbonate (219 mg/1) + Cholecalciferol (840 [iU]/1) + Cupric oxide (2 mg/1) + Cyanocobalamin (12 ug/1) + Doconexent (262 mg/1) + Ferrous bisglycinate hydrochloride (26.49 mg/1) + Folic acid (1 mg/1) + Icosapent (112 mg/1) + Iodine (220 ug/1) + Magnesium oxide (25 mg/1) + Nicotinamide (20 mg/1) + Pyridoxine (50 mg/1) + Riboflavin (4 mg/1) + Sodium ascorbate (120 mg/1) + Thiamine mononitrate (1.8 mg/1) + Zinc oxide (25 mg/1)KitOralVirtus Pharmaceuticals2012-07-122013-02-09US flag

Categories

Drug Categories
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Carboxylic acids
Direct Parent
Carboxylic acids
Alternative Parents
Monocarboxylic acids and derivatives / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds / Organic anions
Substituents
Aliphatic acyclic compound / Carbonyl group / Carboxylic acid / Hydrocarbon derivative / Monocarboxylic acid or derivatives / Organic anion / Organic oxide / Organic oxygen compound / Organooxygen compound
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
monocarboxylic acid anion (CHEBI:30089) / a carboxylate (ACET)

Chemical Identifiers

UNII
569DQM74SC
CAS number
71-50-1
InChI Key
QTBSBXVTEAMEQO-UHFFFAOYSA-M
InChI
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
IUPAC Name
acetate
SMILES
CC([O-])=O

References

General References
Not Available
ChemSpider
170
BindingDB
50159793
RxNav
164
ChEBI
30089
PDBe Ligand
ACT
Wikipedia
Acetate
PDB Entries
19hc / 1a44 / 1agn / 1aok / 1aq0 / 1as4 / 1atg / 1avq / 1b2h / 1b32
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Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
Not AvailableEnrolling by InvitationBasic ScienceBrain Function / Cerebral Blood Flow1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Injection, emulsionIntravenous120 g
Injection, emulsionIntravenous160 g
Injection, emulsionIntravenous150 g
Injection, emulsionIntravenous225 g
Injection, emulsionIntravenous300 g
EmulsionIntravenous150 g
EmulsionIntravenous225 g
Injection, emulsionIntravenous3.66 g
Injection, emulsionIntravenous5.5 g
Injection, emulsionIntravenous7.33 g
Injection, emulsionIntravenous9.16 g
Tablet, film coatedOral
Tablet, coatedOral
SolutionIntravenous12 g/L
KitOral
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility490.0 mg/mLALOGPS
logP-0.29ALOGPS
logP-0.22ChemAxon
logS0.8ALOGPS
pKa (Strongest Acidic)4.54ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area40.13 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity23.48 m3·mol-1ChemAxon
Polarizability4.96 Å3ChemAxon
Number of Rings0ChemAxon
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 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

Drug created on July 11, 2018 16:48 / Updated on June 12, 2020 10:53

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