This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Amyl acetate
- DrugBank Accession Number
- DB15927
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Amyl acetate (DB15927)
- Weight
- Average: 130.187
Monoisotopic: 130.099379691 - Chemical Formula
- C7H14O2
- Synonyms
- Acetate d'amyle
- Acetic acid, amyl ester
- Acetic acid, pentyl ester
- Amylazetat
- Amylester kyseliny octove
- N-Amyl acetate
- Octan amylu
- Pentyl acetate
- External IDs
- 211-047-3
- NSC-7923
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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.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
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 92Q24NH7AS
- CAS number
- 628-63-7
- InChI Key
- PGMYKACGEOXYJE-UHFFFAOYSA-N
- InChI
- InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3
- IUPAC Name
- pentyl acetate
- SMILES
- CCCCCOC(C)=O
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0039095
- ChemSpider
- 11843
- 1370452
- ChEBI
- 87362
- ChEMBL
- CHEMBL47769
- ZINC
- ZINC000001586314
- Wikipedia
- Amyl_acetate
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 1.73 mg/mL ALOGPS logP 2.46 ALOGPS logP 1.69 ChemAxon logS -1.9 ALOGPS pKa (Strongest Basic) -7 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 1 ChemAxon Hydrogen Donor Count 0 ChemAxon Polar Surface Area 26.3 Å2 ChemAxon Rotatable Bond Count 5 ChemAxon Refractivity 35.89 m3·mol-1 ChemAxon Polarizability 15.51 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
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
Drug created at November 24, 2020 14:32 / Updated at November 25, 2020 17:34