Aluminium acetotartrate
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Aluminium acetotartrate
- DrugBank Accession Number
- DB13789
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 234.096
Monoisotopic: 233.9956307 - Chemical Formula
- C6H7AlO8
- 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
- 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
- S02AA04 — Aluminium acetotartrate
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 19MLB4EQ88
- CAS number
- 15930-12-8
- InChI Key
- KQVRYPWCDUCYPZ-OLXYHTOASA-K
- InChI
- InChI=1S/C4H6O6.C2H4O2.Al/c5-1(3(7)8)2(6)4(9)10;1-2(3)4;/h1-2,5-6H,(H,7,8)(H,9,10);1H3,(H,3,4);/q;;+3/p-3/t1-,2-;;/m1../s1
- IUPAC Name
- aluminium(3+) ion (2R,3R)-2,3-dihydroxybutanedioate acetate
- SMILES
- [Al+3].CC([O-])=O.O[C@H]([C@@H](O)C([O-])=O)C([O-])=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 32698959
- 46239
- Wikipedia
- Aluminium_acetotartrate
Clinical Trials
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 90.8 mg/mL ALOGPS logP -0.57 ALOGPS logP -1.8 Chemaxon logS -0.41 ALOGPS pKa (Strongest Acidic) 2.72 Chemaxon pKa (Strongest Basic) -4.3 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 120.72 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 47.89 m3·mol-1 Chemaxon Polarizability 10.83 Å3 Chemaxon Number of Rings 0 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 MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at June 23, 2017 20:48 / Updated at June 12, 2020 16:53