Aluminium acetoacetate

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

Identification

Logo pink
Are you a
new drug developer?
Contact us to learn more about our customized products and solutions.
Name
Aluminium acetoacetate
Accession Number
DB13280
Type
Small Molecule
Groups
Experimental
Description

Aluminium acetoacetate is an aluminum containing antacid.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
5W12C1HF5I
CAS number
19022-77-6
Weight
Average: 330.225
Monoisotopic: 330.0531456
Chemical Formula
C12H15AlO9
InChI Key
DEVXQDKRGJCZMV-UHFFFAOYSA-K
InChI
InChI=1S/3C4H6O3.Al/c3*1-3(5)2-4(6)7;/h3*2H2,1H3,(H,6,7);/q;;;+3/p-3
IUPAC Name
aluminium(3+) ion tris(3-oxobutanoate)
SMILES
[Al+3].CC(=O)CC([O-])=O.CC(=O)CC([O-])=O.CC(=O)CC([O-])=O

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
2,5-Dimethoxy-4-ethylamphetamineThe serum concentration of 2,5-Dimethoxy-4-ethylamphetamine can be increased when it is combined with Aluminium acetoacetate.
2,5-Dimethoxy-4-ethylthioamphetamineThe serum concentration of 2,5-Dimethoxy-4-ethylthioamphetamine can be increased when it is combined with Aluminium acetoacetate.
3-Aza-2,3-Dihydrogeranyl DiphosphateAluminium acetoacetate can cause a decrease in the absorption of 3-Aza-2,3-Dihydrogeranyl Diphosphate resulting in a reduced serum concentration and potentially a decrease in efficacy.
4-Bromo-2,5-dimethoxyamphetamineThe serum concentration of 4-Bromo-2,5-dimethoxyamphetamine can be increased when it is combined with Aluminium acetoacetate.
AbafunginAluminium acetoacetate can cause a decrease in the absorption of Abafungin resulting in a reduced serum concentration and potentially a decrease in efficacy.
AcepromazineAluminium acetoacetate can cause a decrease in the absorption of Acepromazine resulting in a reduced serum concentration and potentially a decrease in efficacy.
AceprometazineAluminium acetoacetate can cause a decrease in the absorption of Aceprometazine resulting in a reduced serum concentration and potentially a decrease in efficacy.
AcetaminophenAluminium acetoacetate can cause a decrease in the absorption of Acetaminophen resulting in a reduced serum concentration and potentially a decrease in efficacy.
AcetophenazineAluminium acetoacetate can cause a decrease in the absorption of Acetophenazine resulting in a reduced serum concentration and potentially a decrease in efficacy.
AcetyldigoxinThe serum concentration of Acetyldigoxin can be decreased when it is combined with Aluminium acetoacetate.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

    Learn more
  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

    Learn more
  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

    Learn more
  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

    Learn more
Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
10670077
ChEBI
138819
ChEMBL
CHEMBL3707335
Wikipedia
Aluminium_acetoacetate
ATC Codes
A02AB05 — Aluminium acetoacetate

Clinical Trials

Clinical Trials
Not Available

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 Solubility0.083 mg/mLALOGPS
logP1.19ALOGPS
logP-0.0015ChemAxon
logS-3.6ALOGPS
pKa (Strongest Acidic)4.02ChemAxon
pKa (Strongest Basic)-7.5ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area57.2 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity33.38 m3·mol-1ChemAxon
Polarizability8.78 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

Taxonomy

Description
This compound belongs to the class of organic compounds known as short-chain keto acids and derivatives. These are keto acids with an alkyl chain the contains less than 6 carbon atoms.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Keto acids and derivatives
Sub Class
Short-chain keto acids and derivatives
Direct Parent
Short-chain keto acids and derivatives
Alternative Parents
Beta-keto acids and derivatives / 1,3-dicarbonyl compounds / Ketones / Carboxylic acid salts / Monocarboxylic acids and derivatives / Carboxylic acids / Organic oxides / Organic aluminium salts / Hydrocarbon derivatives / Organic cations
Substituents
Beta-keto acid / Short-chain keto acid / 1,3-dicarbonyl compound / Carboxylic acid salt / Ketone / Carboxylic acid derivative / Carboxylic acid / Monocarboxylic acid or derivatives / Organic oxygen compound / Carbonyl group
Molecular Framework
Not Available
External Descriptors
Not Available

Drug created on June 23, 2017 14:39 / Updated on June 04, 2019 07:50